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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H26N6O4/c1-16-6-8-17(9-7-16)15-30-19-20(26(2)24(33)27(3)22(19)32)25-23(30)29-12-10-28(11-13-29)21(31)18-5-4-14-34-18/h4-9,14H,10-13,15H2,1-3H3