1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methylphenyl)thio]ethyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-phenylpiperazino)-7-[2-(p-tolylthio)ethyl]xanthine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H30N6O2S/c1-19-9-11-21(12-10-19)35-18-17-32-22-23(28(2)26(34)29(3)24(22)33)27-25(32)31-15-13-30(14-16-31)20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3