5-ethyl-7-oxidanylidene-1-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 5-ethyl-7-oxidanylidene-1-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 1-benzyl-5-ethyl-7-oxo-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 5-ethyl-7-oxo-1-(phenylmethyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 1-benzyl-5-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-benzyl-5-ethyl-7-keto-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N2C(=N1)C=CN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)N2C(=N1)C=CN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H15N3O3/c1-2-12-14(16(21)22)15(20)19-13(17-12)8-9-18(19)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,22)