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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[4-[2-(2-thienyl)acetyl]piperazino]xanthine Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)CC5=CC=CS5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)CC5=CC=CS5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C25H28N6O3S/c1-17-6-4-7-18(14-17)16-31-21-22(27(2)25(34)28(3)23(21)33)26-24(31)30-11-9-29(10-12-30)20(32)15-19-8-5-13-35-19/h4-8,13-14H,9-12,15-16H2,1-3H3