(2Z)-3-oxidanylidene-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoic acid

Systemtic Name: (2Z)-3-oxidanylidene-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoic acid Openeye Name: (2Z)-3-oxo-2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]butanoic acid CAS Name: (2Z)-3-oxo-2-[[(2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]butanoic acid IUPAC Name: (2Z)-3-oxo-2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]butanoic acid Traditional Name: (Z)-2-acetyl-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]acrylic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3/c1-9(19)11(14(20)21)8-17-12-4-7-16-13(18-12)10-2-5-15-6-3-10/h2-8H,1H3,(H,20,21)(H,16,17,18)/b11-8-