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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H30N6O3/c1-18-7-5-6-8-19(18)17-32-22-23(28(2)26(34)29(3)24(22)33)27-25(32)31-15-13-30(14-16-31)20-9-11-21(35-4)12-10-20/h5-12H,13-17H2,1-4H3