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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C)C

InChI

InChI=1S/C17H22N4O3/c1-11(2)7-8-18-16-15(21(22)23)17(20-10-19-16)24-14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)