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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(4-methylpiperidino)xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O2/c1-14-8-10-25(11-9-14)20-22-18-17(19(27)24(4)21(28)23(18)3)26(20)13-16-7-5-6-15(2)12-16/h5-7,12,14H,8-11,13H2,1-4H3