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

Systemtic Name: 8-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(4-p-anisoylpiperazino)xanthine Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C27H30N6O4/c1-18-6-5-7-19(16-18)17-33-22-23(29(2)27(36)30(3)25(22)35)28-26(33)32-14-12-31(13-15-32)24(34)20-8-10-21(37-4)11-9-20/h5-11,16H,12-15,17H2,1-4H3