methyl 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-chloro-3-pyridyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloropyridin-3-yl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClN3O3S/c1-29-21(28)15-8-9-17-18(11-15)25-22(30-13-14-7-10-19(23)24-12-14)26(20(17)27)16-5-3-2-4-6-16/h2-12H,13H2,1H3