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

Systemtic Name: diethyl 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Openeye Name: diethyl 2-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate CAS Name: 2-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Traditional Name: 2-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]malonic acid diethyl ester Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O5/c1-3-27-17(25)14(18(26)28-4-2)22-10-20-15-13(16(22)24)9-21-23(15)12-7-5-6-11(19)8-12/h5-10,14H,3-4H2,1-2H3