N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-3-yl)oxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-3-yl)oxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-[(1-methylsulfonyl-3-piperidyl)oxy]quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(1-methylsulfonyl-3-piperidinyl)oxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-3-yl)oxyquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-[(1-mesyl-3-piperidyl)oxy]-7-methoxy-quinazolin-4-yl]amine Formula: C21H22ClFN4O4S MolecularWeight: 480.940183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C21H22ClFN4O4S/c1-30-19-10-18-15(9-20(19)31-14-4-3-7-27(11-14)32(2,28)29)21(25-12-24-18)26-13-5-6-17(23)16(22)8-13/h5-6,8-10,12,14H,3-4,7,11H2,1-2H3,(H,24,25,26)