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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(1-ethylbenzimidazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1-ethylbenzimidazol-2-yl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1-ethyl-2-benzimidazolyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1-ethylbenzimidazol-2-yl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1-ethylbenzimidazol-2-yl)acetamide Formula: C16H16N8OS MolecularWeight: 368.41624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C16H16N8OS/c1-2-24-10-6-4-3-5-9(10)20-15(24)21-11(25)7-26-16-22-12-13(17)18-8-19-14(12)23-16/h3-6,8H,2,7H2,1H3,(H,20,21,25)(H3,17,18,19,22,23)