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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H16ClFN6O2 MolecularWeight: 450.852843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H16ClFN6O2/c23-17-12-16(9-10-18(17)24)28-21-20(30(31)32)22(27-14-26-21)29(19-8-4-5-11-25-19)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,26,27,28)