2-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanylethanol

Systemtic Name: 2-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanylethanol Openeye Name: 2-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanylethanol CAS Name: 2-[[6-(methylamino)-5-nitro-4-pyrimidinyl]thio]ethanol IUPAC Name: 2-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanylethanol Traditional Name: 2-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]thio]ethanol Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)SCCO)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O3S/c1-8-6-5(11(13)14)7(10-4-9-6)15-3-2-12/h4,12H,2-3H2,1H3,(H,8,9,10)