2-[4-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4/c1-12-10-13(2-3-14(12)18)27-17-15(23(25)26)16(19-11-20-17)22-6-4-21(5-7-22)8-9-24/h2-3,10-11,24H,4-9H2,1H3