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

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-14-7-9-15(10-8-14)16(27)13-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)25-11-5-4-6-12-25/h7-10H,4-6,11-13H2,1-3H3