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

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H12ClF3N6O2 MolecularWeight: 424.76439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3N6O2/c18-12-6-11(17(19,20)21)8-23-14(12)26-16-13(27(28)29)15(24-9-25-16)22-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,22,23,24,25,26)