2-[4-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C18H24N6O3/c1-2-14-5-3-4-6-15(14)21-17-16(24(26)27)18(20-13-19-17)23-9-7-22(8-10-23)11-12-25/h3-6,13,25H,2,7-12H2,1H3,(H,19,20,21)