methyl 3-[(6-chloranylpyridazin-3-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(6-chloranylpyridazin-3-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(6-chloropyridazin-3-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(6-chloro-3-pyridazinyl)amino]-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-chloropyridazin-3-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(6-chloropyridazin-3-yl)amino]-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H15ClFN5O3S MolecularWeight: 471.891903

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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=NN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFN5O3S/c1-31-20(30)13-5-6-15-16(10-13)24-21(32-11-12-3-2-4-14(23)9-12)28(19(15)29)27-18-8-7-17(22)25-26-18/h2-10H,11H2,1H3,(H,26,27)