N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-[(2-morpholinoethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-[[2-(4-morpholinyl)ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-(3-chloro-4-fluoro-anilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzyl]-(2-morpholinoethyl)amine Formula: C25H26ClFN6O MolecularWeight: 480.964943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1COCCN1CCNCC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C25H26ClFN6O/c26-21-13-19(5-6-22(21)27)31-24-20-14-23(32-25(20)30-16-29-24)18-3-1-17(2-4-18)15-28-7-8-33-9-11-34-12-10-33/h1-6,13-14,16,28H,7-12,15H2,(H2,29,30,31,32)