N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-5-(1-methylsulfonylpiperidin-4-yl)oxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-5-(1-methylsulfonylpiperidin-4-yl)oxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-5-[(1-methylsulfonyl-4-piperidyl)oxy]quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-5-[(1-methylsulfonyl-4-piperidinyl)oxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-5-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[5-[(1-mesyl-4-piperidyl)oxy]-7-methoxy-quinazolin-4-yl]amine Formula: C21H22ClFN4O4S MolecularWeight: 480.940183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H22ClFN4O4S/c1-30-15-10-18-20(19(11-15)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-18)26-13-3-4-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)