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

Systemtic Name: 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(4-chlorobenzyl)piperazino]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=C(C=C5)Cl)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=C(C=C5)Cl)N(C(=O)NC3=O)C

InChI

InChI=1S/C25H27ClN6O2/c1-17-4-3-5-19(14-17)16-32-21-22(29(2)25(34)28-23(21)33)27-24(32)31-12-10-30(11-13-31)15-18-6-8-20(26)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,28,33,34)