ethyl 4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

Systemtic Name: ethyl 4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate Openeye Name: ethyl 4-[1-(2-chlorophenyl)-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate CAS Name: 4-[1-(2-chlorophenyl)-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-chlorophenyl)-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[1-(2-chlorophenyl)-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4Cl)C

InChI

InChI=1S/C21H17ClN4O3/c1-3-29-21(28)14-8-10-15(11-9-14)25-13(2)24-19-16(20(25)27)12-23-26(19)18-7-5-4-6-17(18)22/h4-12H,3H2,1-2H3