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

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O3/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/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23)