7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-8-[benzyl(methyl)amino]-3-methyl-xanthine Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H23N7O2S/c1-28(14-15-8-4-3-5-9-15)22-26-19-18(20(31)27-23(32)29(19)2)30(22)12-13-33-21-24-16-10-6-7-11-17(16)25-21/h3-11H,12-14H2,1-2H3,(H,24,25)(H,27,31,32)