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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1-methoxypropan-2-yl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-methoxy-1-methyl-ethyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(1-methoxypropan-2-yl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(1-methoxypropan-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(2-methoxy-1-methyl-ethyl)quinazolin-4-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-15(13-26-2)23-19(25)16-9-5-6-10-17(16)21-20(23)27-14-18(24)22-11-7-3-4-8-12-22/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3