5-[(1R)-1-(5-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(1R)-1-(5-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(1R)-1-(5-methyl-4-oxo-quinazolin-3-yl)ethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[(1R)-1-(5-methyl-4-oxo-3-quinazolinyl)ethyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(1R)-1-(5-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[(1R)-1-(4-keto-5-methyl-quinazolin-3-yl)ethyl]-1H-1,2,4-triazol-3-olate Formula: C13H12N5O2- MolecularWeight: 270.26668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=CN(C2=O)C(C)C3=NC(=NN3)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=CN(C2=O)[C@H](C)C3=NC(=NN3)[O-]

InChI

InChI=1S/C13H13N5O2/c1-7-4-3-5-9-10(7)12(19)18(6-14-9)8(2)11-15-13(20)17-16-11/h3-6,8H,1-2H3,(H2,15,16,17,20)/p-1/t8-/m1/s1