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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(4-phenylpiperazino)xanthine Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2/c1-18-8-7-9-19(16-18)17-31-21-22(27(2)25(33)28(3)23(21)32)26-24(31)30-14-12-29(13-15-30)20-10-5-4-6-11-20/h4-11,16H,12-15,17H2,1-3H3