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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

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