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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-[3-(p-tolylthio)propyl]xanthine Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3S/c1-19-5-11-22(12-6-19)37-18-4-13-33-23-24(30(2)27(35)29-25(23)34)28-26(33)32-16-14-31(15-17-32)20-7-9-21(36-3)10-8-20/h5-12H,4,13-18H2,1-3H3,(H,29,34,35)