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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4O2S/c1-16-9-8-12-23-20(16)26-21(28)17-10-4-5-11-18(17)24-22(26)29-15-19(27)25-13-6-2-3-7-14-25/h4-5,8-12H,2-3,6-7,13-15H2,1H3