ethyl 4-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxo-butanoate CAS Name: 4-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3-oxobutanoate Traditional Name: 4-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-3-keto-butyric acid ethyl ester Formula: C17H15ClN4O4 MolecularWeight: 374.7784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O4/c1-2-26-15(24)7-13(23)9-21-10-19-16-14(17(21)25)8-20-22(16)12-5-3-4-11(18)6-12/h3-6,8,10H,2,7,9H2,1H3