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

Systemtic Name: methyl 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H11ClN4O3 MolecularWeight: 318.71514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN4O3/c1-22-12(20)7-18-8-16-13-11(14(18)21)6-17-19(13)10-4-2-3-9(15)5-10/h2-6,8H,7H2,1H3