methyl 6-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carboxylate

Systemtic Name: methyl 6-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carboxylate Openeye Name: methyl 6-(4-bromo-2-fluoro-phenyl)-1-(4-methoxyphenyl)-7-oxo-pyrazolo[4,3-d]pyrimidine-3-carboxylate CAS Name: 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-pyrazolo[4,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-7-oxopyrazolo[4,3-d]pyrimidine-3-carboxylate Traditional Name: 6-(4-bromo-2-fluoro-phenyl)-7-keto-1-(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidine-3-carboxylic acid methyl ester Formula: C20H14BrFN4O4 MolecularWeight: 473.251963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(=N2)C(=O)OC)N=CN(C3=O)C4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C(=N2)C(=O)OC)N=CN(C3=O)C4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H14BrFN4O4/c1-29-13-6-4-12(5-7-13)26-18-16(17(24-26)20(28)30-2)23-10-25(19(18)27)15-8-3-11(21)9-14(15)22/h3-10H,1-2H3