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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)C

InChI

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