2-[1-(1,4-oxazepan-4-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[1-(1,4-oxazepan-4-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[1-methyl-2-(1,4-oxazepan-4-yl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-1-methyl-2-(1,4-oxazepan-4-yl)ethyl]thio]-1H-quinazolin-4-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCOCC1)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)N1CCCOCC1)SC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H19N3O3S/c1-11(15(21)19-7-4-9-22-10-8-19)23-16-17-13-6-3-2-5-12(13)14(20)18-16/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,18,20)