ethyl (E)-2-cyano-3-[(2-methyl-6-phenylazanyl-pyrimidin-4-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-methyl-6-phenylazanyl-pyrimidin-4-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-3-[(6-anilino-2-methyl-pyrimidin-4-yl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(6-anilino-2-methyl-4-pyrimidinyl)amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-anilino-2-methylpyrimidin-4-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[(6-anilino-2-methyl-pyrimidin-4-yl)amino]-2-cyano-acrylic acid ethyl ester Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC(=C1)NC2=CC=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=NC(=C1)NC2=CC=CC=C2)C)/C#N

InChI

InChI=1S/C17H17N5O2/c1-3-24-17(23)13(10-18)11-19-15-9-16(21-12(2)20-15)22-14-7-5-4-6-8-14/h4-9,11H,3H2,1-2H3,(H2,19,20,21,22)/b13-11+