methyl 3-azanyl-6-(furan-2-ylcarbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 3-azanyl-6-(furan-2-ylcarbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Openeye Name: methyl 3-amino-6-(furan-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate CAS Name: 3-amino-6-[2-furanyl(oxo)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(furan-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Traditional Name: 3-amino-6-(2-furoyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=NN=C(N2C=C1C(=O)C3=CC=CO3)N

Isomeric SMILES

COC(=O)C1=NC2=NN=C(N2C=C1C(=O)C3=CC=CO3)N

InChI

InChI=1S/C12H9N5O4/c1-20-10(19)8-6(9(18)7-3-2-4-21-7)5-17-11(13)15-16-12(17)14-8/h2-5H,1H3,(H2,13,15)