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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(4-phenylpiperazino)xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C24H26N6O2/c1-17-7-6-8-18(15-17)16-30-20-21(27(2)24(32)26-22(20)31)25-23(30)29-13-11-28(12-14-29)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3,(H,26,31,32)