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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3/c1-19-6-5-7-20(16-19)17-33-23(28-25-24(33)26(34)30(3)27(35)29(25)2)18-31-12-14-32(15-13-31)21-8-10-22(36-4)11-9-21/h5-11,16H,12-15,17-18H2,1-4H3