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

Systemtic Name: methyl 3-[2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-28-16(26)8-10-24-18(27)12-5-2-3-6-13(12)23-19(24)29-11-15(25)22-14-7-4-9-21-17(14)20/h2-7,9H,8,10-11H2,1H3,(H,22,25)