N2,N4-bis[3-azanyl-5-(trifluoromethyl)phenyl]-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis[3-azanyl-5-(trifluoromethyl)phenyl]-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[3-amino-5-(trifluoromethyl)phenyl]-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis[3-amino-5-(trifluoromethyl)phenyl]-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis[3-amino-5-(trifluoromethyl)phenyl]-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-[3-amino-5-(trifluoromethyl)anilino]-5-fluoro-pyrimidin-4-yl]-[3-amino-5-(trifluoromethyl)phenyl]amine Formula: C18H13F7N6 MolecularWeight: 446.324842

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)NC2=NC(=NC=C2F)NC3=CC(=CC(=C3)N)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1N)NC2=NC(=NC=C2F)NC3=CC(=CC(=C3)N)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13F7N6/c19-14-7-28-16(30-13-4-9(18(23,24)25)2-11(27)6-13)31-15(14)29-12-3-8(17(20,21)22)1-10(26)5-12/h1-7H,26-27H2,(H2,28,29,30,31)