Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LL7B9N
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| Ligand Name |
4-{[(2-Amino-6-Oxo-6,9-Dihydro-1h-Purin-8-Yl)sulfanyl]methyl}benzonitrile
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| Synonyms |
CHEMBL3233202; 4-{[(2-Amino-6-Oxo-6,9-Dihydro-1h-Purin-8-Yl)sulfanyl]methyl}benzonitrile; YH2; Oprea1_352224; SCHEMBL12820932; ZINC4639554; BDBM50031533; Q27467740
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| Structure |
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Download2D MOL |
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| Formula |
C13H10N6OS
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| Canonical SMILES |
C1=CC(=CC=C1CSC2=NC3=C(N2)C(=O)NC(=N3)N)C#N
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| InChI |
1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)
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| InChIKey |
GWZOSZRSFBULCC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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