methyl 2-[2-[2-(hexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(hexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(hexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(hexylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(hexylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(hexylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-3-4-5-8-11-20-16(23)13-27-19-21-15-10-7-6-9-14(15)18(25)22(19)12-17(24)26-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,20,23)