methyl 6-(4-bromophenyl)-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carboxylate

Systemtic Name: methyl 6-(4-bromophenyl)-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carboxylate Openeye Name: methyl 6-(4-bromophenyl)-1-(4-methoxyphenyl)-7-oxo-pyrazolo[4,3-d]pyrimidine-3-carboxylate CAS Name: 6-(4-bromophenyl)-1-(4-methoxyphenyl)-7-oxo-3-pyrazolo[4,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromophenyl)-1-(4-methoxyphenyl)-7-oxopyrazolo[4,3-d]pyrimidine-3-carboxylate Traditional Name: 6-(4-bromophenyl)-7-keto-1-(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidine-3-carboxylic acid methyl ester Formula: C20H15BrN4O4 MolecularWeight: 455.2615

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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=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O4/c1-28-15-9-7-14(8-10-15)25-18-16(17(23-25)20(27)29-2)22-11-24(19(18)26)13-5-3-12(21)4-6-13/h3-11H,1-2H3