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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C24H25ClN6O3 MolecularWeight: 480.9467

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN6O3/c1-28-21-20(22(32)27-24(28)33)31(15-16-5-3-4-6-19(16)25)23(26-21)30-13-11-29(12-14-30)17-7-9-18(34-2)10-8-17/h3-10H,11-15H2,1-2H3,(H,27,32,33)