9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[2-(cyclopropylamino)-4-pyrimidinyl]-N-methyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[4-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]pyrimidin-2-yl]amine Formula: C14H13F3N8 MolecularWeight: 350.30183

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)NC4CC4)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)NC4CC4)C(F)(F)F

InChI

InChI=1S/C14H13F3N8/c1-18-10-9-11(24-12(23-10)14(15,16)17)25(6-20-9)8-4-5-19-13(22-8)21-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,23,24)(H,19,21,22)