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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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