6-(4-bromanylphenoxy)-N-(3-chlorophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(3-chlorophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(3-chlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(3-chlorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C16H10BrClN4O3 MolecularWeight: 421.6326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrClN4O3/c17-10-4-6-13(7-5-10)25-16-14(22(23)24)15(19-9-20-16)21-12-3-1-2-11(18)8-12/h1-9H,(H,19,20,21)