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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanyl-propyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazino]-3-methyl-7-[2-methyl-3-(p-tolylthio)propyl]xanthine Formula: C23H32N6O3S MolecularWeight: 472.60358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H32N6O3S/c1-16-4-6-18(7-5-16)33-15-17(2)14-29-19-20(26(3)23(32)25-21(19)31)24-22(29)28-10-8-27(9-11-28)12-13-30/h4-7,17,30H,8-15H2,1-3H3,(H,25,31,32)