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

Systemtic Name: N6-(2-morpholin-4-ylethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-morpholin-4-ylethyl)-5-nitro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C17H19F3N6O3 MolecularWeight: 412.36637

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N6O3/c18-17(19,20)12-1-3-13(4-2-12)24-16-14(26(27)28)15(22-11-23-16)21-5-6-25-7-9-29-10-8-25/h1-4,11H,5-10H2,(H2,21,22,23,24)