methyl 3-[(7-chloranylquinolin-4-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(7-chloranylquinolin-4-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(7-chloro-4-quinolyl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(7-chloro-4-quinolinyl)amino]-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(7-chloroquinolin-4-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(7-chloro-4-quinolyl)amino]-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H18ClFN4O3S MolecularWeight: 520.962523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)NC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C26H18ClFN4O3S/c1-35-25(34)16-5-7-20-23(12-16)30-26(36-14-15-3-2-4-18(28)11-15)32(24(20)33)31-21-9-10-29-22-13-17(27)6-8-19(21)22/h2-13H,14H2,1H3,(H,29,31)