ethyl 2-(2-acetamido-4-oxidanylidene-6-phenyl-1H-pteridin-7-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(2-acetamido-4-oxidanylidene-6-phenyl-1H-pteridin-7-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(2-acetamido-4-oxo-6-phenyl-1H-pteridin-7-yl)-2-cyano-acetate CAS Name: 2-(2-acetamido-4-oxo-6-phenyl-1H-pteridin-7-yl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(2-acetamido-4-oxo-6-phenyl-1H-pteridin-7-yl)-2-cyanoacetate Traditional Name: 2-(2-acetamido-4-keto-6-phenyl-1H-pteridin-7-yl)-2-cyano-acetic acid ethyl ester Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=C(C(=O)N=C(N2)NC(=O)C)N=C1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C#N)C1=NC2=C(C(=O)N=C(N2)NC(=O)C)N=C1C3=CC=CC=C3

InChI

InChI=1S/C19H16N6O4/c1-3-29-18(28)12(9-20)14-13(11-7-5-4-6-8-11)22-15-16(23-14)24-19(21-10(2)26)25-17(15)27/h4-8,12H,3H2,1-2H3,(H2,21,23,24,25,26,27)