5-nitro-N6-(oxolan-2-ylmethyl)-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(tetrahydrofuran-2-ylmethyl)-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C16H16F3N5O4 MolecularWeight: 399.32455

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H16F3N5O4/c17-16(18,19)28-11-5-3-10(4-6-11)23-15-13(24(25)26)14(21-9-22-15)20-8-12-2-1-7-27-12/h3-6,9,12H,1-2,7-8H2,(H2,20,21,22,23)