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

Systemtic Name: ethyl 4-[2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O3/c1-3-35-25(34)32-13-11-31(12-14-32)17-23(33)28-20-7-6-18(2)22(15-20)30-24-27-10-8-21(29-24)19-5-4-9-26-16-19/h4-10,15-16H,3,11-14,17H2,1-2H3,(H,28,33)(H,27,29,30)