2-[4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C20H28N6O5 MolecularWeight: 432.47352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)OC

InChI

InChI=1S/C20H28N6O5/c1-30-16-4-3-15(13-17(16)31-2)5-6-21-19-18(26(28)29)20(23-14-22-19)25-9-7-24(8-10-25)11-12-27/h3-4,13-14,27H,5-12H2,1-2H3,(H,21,22,23)