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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C

InChI

InChI=1S/C25H28N6O3/c1-17-5-4-6-18(15-17)16-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-13-11-29(12-14-30)19-7-9-20(34-3)10-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,27,32,33)