(2R)-2-ethanimidoyl-4-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-4-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C19H22N4O2S/c1-12(2)8-9-23-18(25)14-6-4-5-7-16(14)22-19(23)26-11-17(24)15(10-20)13(3)21/h4-7,12,15,21H,8-9,11H2,1-3H3/t15-/m0/s1