3-azanyl-2-(methylamino)-6-(2-methyl-3-oxidanylidene-butan-2-yl)benzenecarbonitrile

Systemtic Name: 3-azanyl-2-(methylamino)-6-(2-methyl-3-oxidanylidene-butan-2-yl)benzenecarbonitrile Openeye Name: 3-amino-6-(1,1-dimethyl-2-oxo-propyl)-2-(methylamino)benzonitrile CAS Name: 3-amino-2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)benzonitrile IUPAC Name: 3-amino-2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)benzonitrile Traditional Name: 3-amino-6-(2-keto-1,1-dimethyl-propyl)-2-(methylamino)benzonitrile Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C1=C(C(=C(C=C1)N)NC)C#N

Isomeric SMILES

CC(=O)C(C)(C)C1=C(C(=C(C=C1)N)NC)C#N

InChI

InChI=1S/C13H17N3O/c1-8(17)13(2,3)10-5-6-11(15)12(16-4)9(10)7-14/h5-6,16H,15H2,1-4H3