N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C15H11F3N6O2 MolecularWeight: 364.28205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N6O2/c16-15(17,18)14-21-12(20-8-4-5-8)11-13(22-14)23(7-19-11)9-2-1-3-10(6-9)24(25)26/h1-3,6-8H,4-5H2,(H,20,21,22)