1-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(4-keto-8-methyl-1H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C13H10N6O MolecularWeight: 266.2581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3C=NC(=N3)C#N

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C13H10N6O/c1-8-3-2-4-9-12(8)16-11(17-13(9)20)6-19-7-15-10(5-14)18-19/h2-4,7H,6H2,1H3,(H,16,17,20)