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

Systemtic Name: 8-(4-cyclopropylcarbonylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(cyclopropanecarbonyl)piperazino]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5CC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5CC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H28N6O3/c1-15-5-4-6-16(13-15)14-29-18-19(25(2)23(32)26(3)21(18)31)24-22(29)28-11-9-27(10-12-28)20(30)17-7-8-17/h4-6,13,17H,7-12,14H2,1-3H3