N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C18H14ClF3N6O2 MolecularWeight: 438.79097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N6O2/c19-13-8-12(18(20,21)22)9-24-15(13)27-17-14(28(29)30)16(25-10-26-17)23-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,23,24,25,26,27)