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

Systemtic Name: 4-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC

InChI

InChI=1S/C18H19ClN4O3S/c1-11(21)14(9-20)16(24)10-27-18-22-15-8-12(19)4-5-13(15)17(25)23(18)6-3-7-26-2/h4-5,8,14,21H,3,6-7,10H2,1-2H3