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

Systemtic Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C)C

InChI

InChI=1S/C16H15N5O4/c1-9-4-10(2)6-12(5-9)24-16-14(21(22)23)15(17-8-18-16)19-13-7-11(3)25-20-13/h4-8H,1-3H3,(H,17,18,19,20)