2-[4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperazino]ethanol Formula: C16H22N6O3S MolecularWeight: 378.44928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O3S/c23-10-9-20-5-7-21(8-6-20)16-14(22(24)25)15(18-12-19-16)17-4-3-13-2-1-11-26-13/h1-2,11-12,23H,3-10H2,(H,17,18,19)