2-[[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H21N5O3/c1-4-20(5-6-22)16-14(21(23)24)15(17-10-18-16)19-13-8-11(2)7-12(3)9-13/h7-10,22H,4-6H2,1-3H3,(H,17,18,19)