8-(4-ethylpiperazin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanyl-propyl]purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[2-methyl-3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-3-methyl-7-[2-methyl-3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-3-methyl-7-[2-methyl-3-(p-tolylthio)propyl]xanthine Formula: C23H32N6O2S MolecularWeight: 456.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H32N6O2S/c1-5-27-10-12-28(13-11-27)22-24-20-19(21(30)25-23(31)26(20)4)29(22)14-17(3)15-32-18-8-6-16(2)7-9-18/h6-9,17H,5,10-15H2,1-4H3,(H,25,30,31)