N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C22H27ClN4O3S/c1-13(2)8-9-27-20(29)15-7-6-14(23)10-16(15)24-21(27)31-12-18(28)25-19-11-17(26-30-19)22(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,25,28)