5-nitro-N6-(2-piperidin-1-ylethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-piperidin-1-ylethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-[2-(1-piperidinyl)ethyl]-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C18H21F3N6O2 MolecularWeight: 410.39355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N6O2/c19-18(20,21)13-5-4-6-14(11-13)25-17-15(27(28)29)16(23-12-24-17)22-7-10-26-8-2-1-3-9-26/h4-6,11-12H,1-3,7-10H2,(H2,22,23,24,25)