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

Systemtic Name: 2-[4-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)C

InChI

InChI=1S/C18H23N5O4/c1-13-9-14(2)11-15(10-13)27-18-16(23(25)26)17(19-12-20-18)22-5-3-21(4-6-22)7-8-24/h9-12,24H,3-8H2,1-2H3