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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

InChI

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