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

Systemtic Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[2-(1H-benzimidazol-2-ylthio)ethyl]-8-(4-benzylpiperazino)-3-methyl-xanthine Formula: C26H28N8O2S MolecularWeight: 516.61792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H28N8O2S/c1-31-22-21(23(35)30-26(31)36)34(15-16-37-24-27-19-9-5-6-10-20(19)28-24)25(29-22)33-13-11-32(12-14-33)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,27,28)(H,30,35,36)