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

Systemtic Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C17H18N4O4S/c1-20(9-5-8-18)14(22)11-26-17-19-13-7-4-3-6-12(13)16(24)21(17)10-15(23)25-2/h3-4,6-7H,5,9-11H2,1-2H3