6-(4-bromanylphenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15BrN4O5/c1-26-13-7-8-14(15(9-13)27-2)22-17-16(23(24)25)18(21-10-20-17)28-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H,20,21,22)