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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(3R)-3-methyl-1-piperidyl]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(3R)-3-methyl-1-piperidinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(3R)-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=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O2/c1-14-7-9-16(10-8-14)13-26-17-18(23(3)21(28)24(4)19(17)27)22-20(26)25-11-5-6-15(2)12-25/h7-10,15H,5-6,11-13H2,1-4H3/t15-/m1/s1