ethyl 4-[2-oxidanylidene-2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-oxo-2-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C24H27N7O3/c1-2-34-24(33)31-13-11-30(12-14-31)17-22(32)27-19-6-3-7-20(15-19)28-23-26-10-8-21(29-23)18-5-4-9-25-16-18/h3-10,15-16H,2,11-14,17H2,1H3,(H,27,32)(H,26,28,29)