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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

InChI

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