6-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

Systemtic Name: 6-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-morpholino-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(4-morpholinyl)-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: (6-morpholino-5-nitro-pyrimidin-4-yl)-[3-(trifluoromethyl)benzyl]amine Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)12-3-1-2-11(8-12)9-20-14-13(24(25)26)15(22-10-21-14)23-4-6-27-7-5-23/h1-3,8,10H,4-7,9H2,(H,20,21,22)