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

Systemtic Name: methyl 3-[2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(tert-amylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

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