N'-[3-[2,6-bis(chloranyl)-4-methoxy-phenyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-[4,4,4-tris(fluoranyl)butyl]ethane-1,2-diamine

Systemtic Name: N'-[3-[2,6-bis(chloranyl)-4-methoxy-phenyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-[4,4,4-tris(fluoranyl)butyl]ethane-1,2-diamine Openeye Name: N'-[3-(2,6-dichloro-4-methoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine CAS Name: N'-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine IUPAC Name: N'-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine Traditional Name: [3-(2,6-dichloro-4-methoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-[2-(4,4,4-trifluorobutylamino)ethyl]amine Formula: C21H24Cl2F3N5O MolecularWeight: 490.34937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)NCCNCCCC(F)(F)F)C)C3=C(C=C(C=C3Cl)OC)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)NCCNCCCC(F)(F)F)C)C3=C(C=C(C=C3Cl)OC)Cl

InChI

InChI=1S/C21H24Cl2F3N5O/c1-12-9-17(28-8-7-27-6-4-5-21(24,25)26)31-20(29-12)18(13(2)30-31)19-15(22)10-14(32-3)11-16(19)23/h9-11,27-28H,4-8H2,1-3H3