6-(4-bromanylphenoxy)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(3-chloro-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C17H12BrClN4O3 MolecularWeight: 435.65918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12BrClN4O3/c1-10-2-5-12(8-14(10)19)22-16-15(23(24)25)17(21-9-20-16)26-13-6-3-11(18)4-7-13/h2-9H,1H3,(H,20,21,22)