N-methyl-9-(2-phenylazanylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-methyl-9-(2-phenylazanylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(2-anilinopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-(2-anilino-4-pyrimidinyl)-N-methyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-(2-anilinopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(2-anilinopyrimidin-4-yl)-2-(trifluoromethyl)purin-6-yl]-methyl-amine Formula: C17H13F3N8 MolecularWeight: 386.33393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)NC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)NC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C17H13F3N8/c1-21-13-12-14(27-15(26-13)17(18,19)20)28(9-23-12)11-7-8-22-16(25-11)24-10-5-3-2-4-6-10/h2-9H,1H3,(H,21,26,27)(H,22,24,25)