8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C32H34N6O2S MolecularWeight: 566.71636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

InChI

InChI=1S/C32H34N6O2S/c1-23-13-15-26(16-14-23)41-22-21-38-28-29(35(2)32(40)34-30(28)39)33-31(38)37-19-17-36(18-20-37)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,27H,17-22H2,1-2H3,(H,34,39,40)