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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N(C)CC4=CC=CC=C4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N(C)CC4=CC=CC=C4)N(C2=O)C

InChI

InChI=1S/C23H25N5O2/c1-16-10-12-18(13-11-16)15-28-21(29)19-20(27(4)23(28)30)24-22(26(19)3)25(2)14-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3