1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[4-(2-thenoyl)piperazino]xanthine Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CS5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CS5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H26N6O3S/c1-16-6-4-7-17(14-16)15-30-19-20(26(2)24(33)27(3)22(19)32)25-23(30)29-11-9-28(10-12-29)21(31)18-8-5-13-34-18/h4-8,13-14H,9-12,15H2,1-3H3