[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H22N4O3/c1-14-10-15(2)12-16(11-14)18(25)26-13-17(24)22-6-8-23(9-7-22)19-20-4-3-5-21-19/h3-5,10-12H,6-9,13H2,1-2H3