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

Systemtic Name: ethyl 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid ethyl ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O3/c1-2-23-13(21)8-19-9-17-14-12(15(19)22)7-18-20(14)11-5-3-4-10(16)6-11/h3-7,9H,2,8H2,1H3