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

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-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(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C

InChI

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