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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[3-[(4-methylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[3-(p-tolylthio)propyl]xanthine Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

InChI

InChI=1S/C25H28N6O4S/c1-17-6-8-18(9-7-17)36-16-4-10-31-20-21(28(2)25(34)27-22(20)32)26-24(31)30-13-11-29(12-14-30)23(33)19-5-3-15-35-19/h3,5-9,15H,4,10-14,16H2,1-2H3,(H,27,32,34)