N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H11ClFN5O2 MolecularWeight: 323.710143

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H11ClFN5O2/c1-2-5-16-12-11(20(21)22)13(18-7-17-12)19-8-3-4-10(15)9(14)6-8/h2-4,6-7H,1,5H2,(H2,16,17,18,19)