2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(1-methylbenzimidazol-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(1-methylbenzimidazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1-methylbenzimidazol-2-yl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1-methyl-2-benzimidazolyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1-methylbenzimidazol-2-yl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1-methylbenzimidazol-2-yl)acetamide Formula: C15H14N8OS MolecularWeight: 354.38966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C15H14N8OS/c1-23-9-5-3-2-4-8(9)19-14(23)20-10(24)6-25-15-21-11-12(16)17-7-18-13(11)22-15/h2-5,7H,6H2,1H3,(H,19,20,24)(H3,16,17,18,21,22)