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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C13H13ClFN5O2 MolecularWeight: 325.726023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H13ClFN5O2/c1-7(2)18-12-11(20(21)22)13(17-6-16-12)19-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H2,16,17,18,19)