ethyl (E)-2-cyano-3-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]acrylic acid ethyl ester Formula: C17H14N6O3 MolecularWeight: 350.33146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3)/C#N

InChI

InChI=1S/C17H14N6O3/c1-2-26-17(25)12(8-18)9-20-22-11-19-15-14(16(22)24)10-21-23(15)13-6-4-3-5-7-13/h3-7,9-11,20H,2H2,1H3/b12-9+