N-butyl-6-(3,5-dimethylphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(3,5-dimethylphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(3,5-dimethylphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(3,5-dimethylphenoxy)-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(3,5-dimethylphenoxy)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-5-6-7-20(4)16-15(21(22)23)17(19-11-18-16)24-14-9-12(2)8-13(3)10-14/h8-11H,5-7H2,1-4H3