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

Systemtic Name: 2-[[6-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-(3,4-dichloroanilino)-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C14H15Cl2N5O3 MolecularWeight: 372.2066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N5O3/c1-2-20(5-6-22)14-12(21(23)24)13(17-8-18-14)19-9-3-4-10(15)11(16)7-9/h3-4,7-8,22H,2,5-6H2,1H3,(H,17,18,19)