ethyl 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxo-butanoate CAS Name: 2-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3-oxobutanoate Traditional Name: 2-[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)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O4/c1-3-26-17(25)14(10(2)23)21-9-19-15-13(16(21)24)8-20-22(15)12-6-4-5-11(18)7-12/h4-9,14H,3H2,1-2H3