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

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-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-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H10ClF3N6O2 MolecularWeight: 374.70571

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H10ClF3N6O2/c1-2-3-18-11-9(23(24)25)12(21-6-20-11)22-10-8(14)4-7(5-19-10)13(15,16)17/h2,4-6H,1,3H2,(H2,18,19,20,21,22)