(Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoic acid Openeye Name: (Z)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]but-2-enoic acid CAS Name: (Z)-2-cyano-3-[(2-pyridin-4-yl-4-pyrimidinyl)amino]-2-butenoic acid IUPAC Name: (Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoic acid Traditional Name: (Z)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]but-2-enoic acid Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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