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

Systemtic Name: 5-nitro-N6-(2-thiophen-2-ylethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(2-thienyl)ethyl]-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-thiophen-2-ylethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-thiophen-2-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H14F3N5O2S MolecularWeight: 409.38557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2S/c18-17(19,20)11-3-5-12(6-4-11)24-16-14(25(26)27)15(22-10-23-16)21-8-7-13-2-1-9-28-13/h1-6,9-10H,7-8H2,(H2,21,22,23,24)