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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN6O3/c1-29-24-23(25(34)30(2)26(29)35)33(16-18-4-6-19(27)7-5-18)22(28-24)17-31-12-14-32(15-13-31)20-8-10-21(36-3)11-9-20/h4-11H,12-17H2,1-3H3