2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C20H26ClN3O3S/c1-14(18(25)23-9-5-3-4-6-10-23)28-20-22-17-13-15(21)7-8-16(17)19(26)24(20)11-12-27-2/h7-8,13-14H,3-6,9-12H2,1-2H3