2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H23ClN4O2S/c1-3-11-26-19(28)16-12-15(22)7-8-17(16)24-20(26)29-14(2)18(27)25-21(13-23)9-5-4-6-10-21/h3,7-8,12,14H,1,4-6,9-11H2,2H3,(H,25,27)