N6-(3-methoxypropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-5-nitro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C15H16F3N5O3 MolecularWeight: 371.31445

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O3/c1-26-8-2-7-19-13-12(23(24)25)14(21-9-20-13)22-11-5-3-10(4-6-11)15(16,17)18/h3-6,9H,2,7-8H2,1H3,(H2,19,20,21,22)