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

Systemtic Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-oxo-2-(p-tolyl)ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-3-methyl-8-piperidino-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-13-6-8-14(9-7-13)15(26)12-25-16-17(23(2)20(28)22-18(16)27)21-19(25)24-10-4-3-5-11-24/h6-9H,3-5,10-12H2,1-2H3,(H,22,27,28)