N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine

Systemtic Name: N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine Openeye Name: N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine CAS Name: N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)-1-pyrazolyl]-6-purinamine IUPAC Name: N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine Traditional Name: (4-chlorophenyl)-[9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-yl]amine Formula: C16H11ClF3N7 MolecularWeight: 393.75365

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)Cl)N4C=CC(=N4)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)Cl)N4C=CC(=N4)C(F)(F)F

InChI

InChI=1S/C16H11ClF3N7/c1-26-8-21-12-13(22-10-4-2-9(17)3-5-10)23-15(24-14(12)26)27-7-6-11(25-27)16(18,19)20/h2-8H,1H3,(H,22,23,24)