N4-(3-bromanyl-4-fluoranyl-phenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-bromanyl-4-fluoranyl-phenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromo-4-fluoro-phenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromo-4-fluorophenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromo-4-fluorophenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-bromo-4-fluoro-phenyl)amine Formula: C20H17BrFN5 MolecularWeight: 426.284883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC3=C(N2)N=C(N=C3NC4=CC(=C(C=C4)F)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC3=C(N2)N=C(N=C3NC4=CC(=C(C=C4)F)Br)N

InChI

InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)