6-(4-bromanylphenoxy)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(4-butoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN4O4/c1-2-3-12-28-16-10-6-15(7-11-16)24-19-18(25(26)27)20(23-13-22-19)29-17-8-4-14(21)5-9-17/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)