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

Systemtic Name: N4,N6-bis[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H7Cl2F6N7O2 MolecularWeight: 514.168899

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H7Cl2F6N7O2/c17-8-1-6(15(19,20)21)3-25-11(8)29-13-10(31(32)33)14(28-5-27-13)30-12-9(18)2-7(4-26-12)16(22,23)24/h1-5H,(H2,25,26,27,28,29,30)