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

Systemtic Name: 2-[4-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(phenylthio)pyrimidin-4-yl]piperazino]ethanol Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c22-11-10-19-6-8-20(9-7-19)15-14(21(23)24)16(18-12-17-15)25-13-4-2-1-3-5-13/h1-5,12,22H,6-11H2