1-methyl-7-oxidanylidene-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

Systemtic Name: 1-methyl-7-oxidanylidene-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid Openeye Name: 1-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid CAS Name: 1-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid IUPAC Name: 1-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid Traditional Name: 7-keto-1-methyl-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NN3C)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NN3C)C(=O)O

InChI

InChI=1S/C16H16N4O4/c1-3-8-24-10-7-5-4-6-9(10)14-17-11-12(16(22)23)19-20(2)13(11)15(21)18-14/h4-7H,3,8H2,1-2H3,(H,22,23)(H,17,18,21)