ethyl 4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)-1-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: ethyl 4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)-1-(phenylmethyl)piperazine-2-carboxylate Openeye Name: ethyl 1-benzyl-4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]piperazine-2-carboxylate CAS Name: 4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-1-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-2-carboxylate Traditional Name: 1-benzyl-4-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]piperazine-2-carboxylic acid ethyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=O)N3C)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=O)N3C)C4=CC=NC=C4

InChI

InChI=1S/C24H27N5O3/c1-3-32-23(31)21-17-29(14-13-28(21)16-18-7-5-4-6-8-18)24-26-20(15-22(30)27(24)2)19-9-11-25-12-10-19/h4-12,15,21H,3,13-14,16-17H2,1-2H3