2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)propionamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H25ClN4O3S/c1-14(18(27)25-21(13-23)8-4-3-5-9-21)30-20-24-17-12-15(22)6-7-16(17)19(28)26(20)10-11-29-2/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,25,27)