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

Systemtic Name: 2-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[ethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25N5O5/c1-4-22(9-10-24)18-16(23(25)26)17(20-12-21-18)19-8-7-13-5-6-14(27-2)15(11-13)28-3/h5-6,11-12,24H,4,7-10H2,1-3H3,(H,19,20,21)