(2S)-2-ethanimidoyl-4-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[3-(6-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[3-(6-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[4-keto-3-(6-methyl-2-pyridyl)quinazolin-2-yl]thio]butyronitrile Formula: C20H17N5O2S MolecularWeight: 391.44628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H17N5O2S/c1-12-6-5-9-18(23-12)25-19(27)14-7-3-4-8-16(14)24-20(25)28-11-17(26)15(10-21)13(2)22/h3-9,15,22H,11H2,1-2H3/t15-/m1/s1