methyl 1-(3-chlorophenyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

Systemtic Name: methyl 1-(3-chlorophenyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate Openeye Name: methyl 1-(3-chlorophenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate CAS Name: 1-(3-chlorophenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-chlorophenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid methyl ester Formula: C13H9ClN4O3 MolecularWeight: 304.68856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C2=C1NC=NC2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=NN(C2=C1NC=NC2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H9ClN4O3/c1-21-13(20)10-9-11(12(19)16-6-15-9)18(17-10)8-4-2-3-7(14)5-8/h2-6H,1H3,(H,15,16,19)