2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-chloro-3-isobutyl-quinazolin-4-one Formula: C20H26ClN3O2S MolecularWeight: 407.95734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H26ClN3O2S/c1-14(2)12-24-19(26)16-11-15(21)7-8-17(16)22-20(24)27-13-18(25)23-9-5-3-4-6-10-23/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3