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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H25ClN4O3S/c23-15-6-7-17-18(11-15)25-21(27(20(17)29)12-16-5-4-10-30-16)31-13-19(28)26-22(14-24)8-2-1-3-9-22/h6-7,11,16H,1-5,8-10,12-13H2,(H,26,28)