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

Systemtic Name: N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: methyl-[9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C13H9F3N6O2 MolecularWeight: 338.24477

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H9F3N6O2/c1-17-10-9-11(20-12(19-10)13(14,15)16)21(6-18-9)7-3-2-4-8(5-7)22(23)24/h2-6H,1H3,(H,17,19,20)