5-nitro-N6-(2-piperidin-1-ylethyl)-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-piperidin-1-ylethyl)-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-[2-(1-piperidinyl)ethyl]-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H21F3N6O3 MolecularWeight: 426.39295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H21F3N6O3/c19-18(20,21)30-14-6-4-13(5-7-14)25-17-15(27(28)29)16(23-12-24-17)22-8-11-26-9-2-1-3-10-26/h4-7,12H,1-3,8-11H2,(H2,22,23,24,25)