methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(pentylamino)ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(amylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-3-4-7-11-20-16(23)13-27-19-21-15-9-6-5-8-14(15)18(25)22(19)12-10-17(24)26-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,20,23)