N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-yl-hept-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-yl-hept-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholino-hept-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-pyrido[3,4-d]pyrimidinyl]-7-(4-morpholinyl)-2-heptynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-ylhept-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholino-hept-2-ynamide Formula: C24H24ClFN6O2 MolecularWeight: 482.937763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H24ClFN6O2/c25-19-13-17(6-7-20(19)26)30-24-18-14-22(27-15-21(18)28-16-29-24)31-23(33)5-3-1-2-4-8-32-9-11-34-12-10-32/h6-7,13-16H,1-2,4,8-12H2,(H,27,31,33)(H,28,29,30)