(2S)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: (2S)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: (2S)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: (2S)-3-keto-2-(4-keto-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)[C@@H](C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H17N3O5/c1-26-15-8-11(9-16(27-2)18(15)28-3)17(24)13(10-21)19-22-14-7-5-4-6-12(14)20(25)23-19/h4-9,13H,1-3H3,(H,22,23,25)/t13-/m1/s1