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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(1-piperidyl)-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-piperidino-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCCCC4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCCCC4)N(C2=O)C

InChI

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