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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[3-(p-tolylthio)propyl]xanthine Formula: C33H36N6O2S MolecularWeight: 580.74294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C3=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)SCCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

InChI

InChI=1S/C33H36N6O2S/c1-24-14-16-27(17-15-24)42-23-9-18-39-29-30(36(2)33(41)35-31(29)40)34-32(39)38-21-19-37(20-22-38)28(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-17,28H,9,18-23H2,1-2H3,(H,35,40,41)