methyl (E)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[(2-pyridin-4-yl-4-pyrimidinyl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]acrylic acid methyl ester Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C#N

Isomeric SMILES

COC(=O)/C(=C/NC1=NC(=NC=C1)C2=CC=NC=C2)/C#N

InChI

InChI=1S/C14H11N5O2/c1-21-14(20)11(8-15)9-18-12-4-7-17-13(19-12)10-2-5-16-6-3-10/h2-7,9H,1H3,(H,17,18,19)/b11-9+