7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C25H26N8O2S MolecularWeight: 502.59134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C25H26N8O2S/c1-30-21-20(22(34)29-25(30)35)33(15-16-36-23-26-18-9-5-6-10-19(18)27-23)24(28-21)32-13-11-31(12-14-32)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,26,27)(H,29,34,35)