Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L9TUR5
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Ligand Name |
Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
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Synonyms |
6559-86-0; Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-; NSC99657; MLS000737206; NSC-99657; Z451PDS8P0; 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one; Theophylline, 8-((2-pyrrolidinoethyl)thio)-6-thio-; Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-; JA2-4 (NSC99657); Theophylline, 8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thio-; SMR000528466; Theophylline, 8-[[2-(1-pyrrolidinyl)ethyl]thio]-6-thio-; 1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thioxo-2H-purin-2-one; 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one; NSC 99657; BRN 1155144; 6-Thio-8-(beta-N-pyrrolidinoethyl)thiotheophylline; Uric acid, 1,3-dimethyl-8-(2-pyrrolidinoethyl)thio-6-thio-; NCIStruc1_001373; NCIStruc2_001120; UNII-Z451PDS8P0; CHEMBL1494615; BDBM55874; cid_3034554; DTXSID80215852; CHEBI:109390; NCI99657; CCG-36654; NCGC00014035; ZINC100132706; NCGC00014035-02; NCGC00097144-01; NCI60_042234; 8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline; Q27188509; 6-Thio-[8-(.beta.-N-pyrrolidinoethyl)thio]theophylline; Uric acid,3-dimethyl-8-[(2-pyrrolidinoethyl)thio]-6-thio-; 1,3-dimethyl-8-(2-pyrrolidinoethylthio)-6-thioxo-7H-purin-2-one; 1,3-dimethyl-8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one; 2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-; 2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-; M0S
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Structure |
Download2D MOL |
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Formula |
C13H19N5OS2
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Canonical SMILES |
CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCC3
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InChI |
1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
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InChIKey |
KLAIFKHPSDRWRR-UHFFFAOYSA-N
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PubChem Compound ID |
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