7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H34N6O3/c1-19-6-7-20(2)21(16-19)17-34-24(29-26-25(34)27(35)31(4)28(36)30(26)3)18-32-12-14-33(15-13-32)22-8-10-23(37-5)11-9-22/h6-11,16H,12-15,17-18H2,1-5H3