methyl 2-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClN4O4S/c1-32-22(31)14-7-9-17-18(11-14)26-23(28(21(17)30)16-5-3-2-4-6-16)33-13-20(29)27-19-10-8-15(24)12-25-19/h2-12H,13H2,1H3,(H,25,27,29)