methyl 4-oxidanylidene-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C3=NC=NN3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C3=NC=NN3

InChI

InChI=1S/C12H9N5O3/c1-20-12(19)6-2-3-7-8(4-6)15-10(16-11(7)18)9-13-5-14-17-9/h2-5H,1H3,(H,13,14,17)(H,15,16,18)