N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(methylamino)quinazolin-6-yl]pyridine-3-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(methylamino)quinazolin-6-yl]pyridine-3-carboxamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(methylamino)quinazolin-6-yl]pyridine-3-carboxamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-(methylamino)-6-quinazolinyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(methylamino)quinazolin-6-yl]pyridine-3-carboxamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(methylamino)quinazolin-6-yl]nicotinamide Formula: C21H16ClFN6O MolecularWeight: 422.842743

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CNC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H16ClFN6O/c1-24-18-9-17-14(8-19(18)29-21(30)12-3-2-6-25-10-12)20(27-11-26-17)28-13-4-5-16(23)15(22)7-13/h2-11,24H,1H3,(H,29,30)(H,26,27,28)