ethyl 6-cyano-7-oxidanylidene-5-phenylazanyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-cyano-7-oxidanylidene-5-phenylazanyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-anilino-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-anilino-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-anilino-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-anilino-6-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C#N)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C16H13N5O3/c1-2-24-16(23)12-9-18-21-14(12)20-13(11(8-17)15(21)22)19-10-6-4-3-5-7-10/h3-7,9,18-19H,2H2,1H3