2-[4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-14(2)15-3-5-16(6-4-15)28-19-17(24(26)27)18(20-13-21-19)23-9-7-22(8-10-23)11-12-25/h3-6,13-14,25H,7-12H2,1-2H3