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

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3/c1-11-6-12(2)8-14(7-11)25-17-15(22(23)24)16(19-10-20-17)21-13-4-3-5-18-9-13/h3-10H,1-2H3,(H,19,20,21)