N-[(1-methylbenzimidazol-2-yl)methyl]-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-[(1-methyl-2-benzimidazolyl)methyl]-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide Formula: C23H21N7O2S MolecularWeight: 459.52354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NCC4=NC5=CC=CC=C5N4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NCC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C23H21N7O2S/c1-14-7-9-15(10-8-14)30-21-20(22(32)26-13-25-21)28-23(30)33-12-19(31)24-11-18-27-16-5-3-4-6-17(16)29(18)2/h3-10,13H,11-12H2,1-2H3,(H,24,31)(H,25,26,32)