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

Systemtic Name: ethyl 5-(butylamino)-6-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(butylamino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(butylamino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylamino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(butylamino)-6-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OCC)C#N

Isomeric SMILES

CCCCNC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OCC)C#N

InChI

InChI=1S/C14H17N5O3/c1-3-5-6-16-11-9(7-15)13(20)19-12(18-11)10(8-17-19)14(21)22-4-2/h8,16-17H,3-6H2,1-2H3