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

Systemtic Name: N-cyclopropyl-9-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(3-nitrobenzyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C16H13F3N6O2 MolecularWeight: 378.30863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H13F3N6O2/c17-16(18,19)15-22-13(21-10-4-5-10)12-14(23-15)24(8-20-12)7-9-2-1-3-11(6-9)25(26)27/h1-3,6,8,10H,4-5,7H2,(H,21,22,23)