ethyl (2Z)-3-oxidanylidene-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoate

Systemtic Name: ethyl (2Z)-3-oxidanylidene-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoate Openeye Name: ethyl (2Z)-3-oxo-2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]butanoate CAS Name: (2Z)-3-oxo-2-[[(2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2Z)-3-oxo-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoate Traditional Name: (Z)-2-acetyl-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]acrylic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C\NC1=NC(=NC=C1)C2=CC=NC=C2)/C(=O)C

InChI

InChI=1S/C16H16N4O3/c1-3-23-16(22)13(11(2)21)10-19-14-6-9-18-15(20-14)12-4-7-17-8-5-12/h4-10H,3H2,1-2H3,(H,18,19,20)/b13-10-