(2S)-4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S/c1-11(2)6-7-24-18(26)14-5-4-13(20)8-16(14)23-19(24)27-10-17(25)15(9-21)12(3)22/h4-5,8,11,15,22H,6-7,10H2,1-3H3/t15-/m1/s1