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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-8-(1-piperidyl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-piperidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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