ethyl 3-cyano-6-ethanoyl-7-[oxidanyl(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-[oxidanyl(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-3-cyano-7-[hydroxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-3-cyano-7-[hydroxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-3-cyano-7-[hydroxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-3-cyano-7-[hydroxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(C3=CC=CC=C3)O

InChI

InChI=1S/C19H18N4O4/c1-3-27-18(26)19(16(25)13-7-5-4-6-8-13)15(12(2)24)11-21-17-14(9-20)10-22-23(17)19/h4-8,10-11,16,22,25H,3H2,1-2H3