4-[7-chloranyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[7-chloranyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[7-chloro-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[7-chloro-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C19H19ClN4O3S MolecularWeight: 418.89716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C[C@H]3CCCO3

InChI

InChI=1S/C19H19ClN4O3S/c1-11(22)15(8-21)17(25)10-28-19-23-16-7-12(20)4-5-14(16)18(26)24(19)9-13-3-2-6-27-13/h4-5,7,13,15,22H,2-3,6,9-10H2,1H3/t13-,15?/m1/s1