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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[[4-(4-methoxyphenyl)piperazino]methyl]-3-methyl-xanthine Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN6O3/c1-29-23-22(24(33)28-25(29)34)32(15-17-3-5-18(26)6-4-17)21(27-23)16-30-11-13-31(14-12-30)19-7-9-20(35-2)10-8-19/h3-10H,11-16H2,1-2H3,(H,28,33,34)