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

Systemtic Name: 2-[4-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C20H28N6O4/c1-2-3-14-30-17-6-4-16(5-7-17)23-19-18(26(28)29)20(22-15-21-19)25-10-8-24(9-11-25)12-13-27/h4-7,15,27H,2-3,8-14H2,1H3,(H,21,22,23)