N6-[2-bromanyl-4-(trifluoromethyloxy)phenyl]-N4,N4-bis(2-methoxyethyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-bromanyl-4-(trifluoromethyloxy)phenyl]-N4,N4-bis(2-methoxyethyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-bromo-4-(trifluoromethoxy)phenyl]-N4,N4-bis(2-methoxyethyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-bromo-4-(trifluoromethoxy)phenyl]-N4,N4-bis(2-methoxyethyl)-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-bromo-4-(trifluoromethoxy)phenyl]-4-N,4-N-bis(2-methoxyethyl)-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-bromo-4-(trifluoromethoxy)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C18H21BrF3N5O5 MolecularWeight: 524.28905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N(CCOC)CCOC)[N+](=O)[O-])NC2=C(C=C(C=C2)OC(F)(F)F)Br

Isomeric SMILES

CC1=NC(=C(C(=N1)N(CCOC)CCOC)[N+](=O)[O-])NC2=C(C=C(C=C2)OC(F)(F)F)Br

InChI

InChI=1S/C18H21BrF3N5O5/c1-11-23-16(25-14-5-4-12(10-13(14)19)32-18(20,21)22)15(27(28)29)17(24-11)26(6-8-30-2)7-9-31-3/h4-5,10H,6-9H2,1-3H3,(H,23,24,25)