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

Systemtic Name: methyl 2-[2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

InChI

InChI=1S/C16H16N4O4S/c1-24-14(22)9-20-15(23)11-5-2-3-6-12(11)19-16(20)25-10-13(21)18-8-4-7-17/h2-3,5-6H,4,8-10H2,1H3,(H,18,21)