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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-piperidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H23N5O2/c1-13-7-6-8-14(11-13)12-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,25,26)