methyl 2-[2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-14(18(25)22-11-7-3-4-8-12-22)28-20-21-16-10-6-5-9-15(16)19(26)23(20)13-17(24)27-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3