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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-bromo-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-bromo-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-bromo-3-ethylquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-bromo-3-ethyl-quinazolin-4-one Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22BrN3O2S/c1-2-22-17(24)14-11-13(19)7-8-15(14)20-18(22)25-12-16(23)21-9-5-3-4-6-10-21/h7-8,11H,2-6,9-10,12H2,1H3