N5-(4-azanylcyclohexyl)-3-bromanyl-N7-[(3-chloranyl-4-fluoranyl-phenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: N5-(4-azanylcyclohexyl)-3-bromanyl-N7-[(3-chloranyl-4-fluoranyl-phenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: N5-(4-aminocyclohexyl)-3-bromo-N7-[(3-chloro-4-fluoro-phenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: N5-(4-aminocyclohexyl)-3-bromo-N7-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 5-N-(4-aminocyclohexyl)-3-bromo-7-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: (4-aminocyclohexyl)-[3-bromo-7-[(3-chloro-4-fluoro-benzyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amine Formula: C19H21BrClFN6 MolecularWeight: 467.765643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C=NN3C(=C2)NCC4=CC(=C(C=C4)F)Cl)Br

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C=NN3C(=C2)NCC4=CC(=C(C=C4)F)Cl)Br

InChI

InChI=1S/C19H21BrClFN6/c20-14-10-25-28-18(24-9-11-1-6-16(22)15(21)7-11)8-17(27-19(14)28)26-13-4-2-12(23)3-5-13/h1,6-8,10,12-13,24H,2-5,9,23H2,(H,26,27)