(2S)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)pentanenitrile

Systemtic Name: (2S)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)pentanenitrile Openeye Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)pentanenitrile CAS Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)pentanenitrile IUPAC Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)pentanenitrile Traditional Name: (2S)-3-keto-2-(4-keto-1H-quinazolin-2-yl)valeronitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCC(=O)[C@@H](C#N)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H11N3O2/c1-2-11(17)9(7-14)12-15-10-6-4-3-5-8(10)13(18)16-12/h3-6,9H,2H2,1H3,(H,15,16,18)/t9-/m1/s1