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

Systemtic Name: (2S)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)hexanenitrile Openeye Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)hexanenitrile CAS Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)hexanenitrile IUPAC Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)hexanenitrile Traditional Name: (2S)-3-keto-2-(4-keto-1H-quinazolin-2-yl)hexanenitrile Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2/c1-2-5-12(18)10(8-15)13-16-11-7-4-3-6-9(11)14(19)17-13/h3-4,6-7,10H,2,5H2,1H3,(H,16,17,19)/t10-/m1/s1