ethyl (Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]but-2-enoate CAS Name: (Z)-2-cyano-3-[(2-pyridin-4-yl-4-pyrimidinyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoate Traditional Name: (Z)-2-cyano-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]but-2-enoic acid ethyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/c1-3-23-16(22)13(10-17)11(2)20-14-6-9-19-15(21-14)12-4-7-18-8-5-12/h4-9H,3H2,1-2H3,(H,19,20,21)/b13-11-