N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3)C

InChI

InChI=1S/C20H24N4O3/c1-14-10-15(2)12-17(11-14)27-20-18(24(25)26)19(22-13-23-20)21-9-8-16-6-4-3-5-7-16/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,22,23)