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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-piperidino-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H25N5O2/c1-14-8-7-9-15(12-14)13-25-16-17(22(2)20(27)23(3)18(16)26)21-19(25)24-10-5-4-6-11-24/h7-9,12H,4-6,10-11,13H2,1-3H3