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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C26H30N6O3S MolecularWeight: 506.6198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C

InChI

InChI=1S/C26H30N6O3S/c1-18-4-10-21(11-5-18)36-17-16-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-14-12-30(13-15-31)19-6-8-20(35-3)9-7-19/h4-11H,12-17H2,1-3H3,(H,28,33,34)