methyl 2-[6-(methylamino)-5-nitroso-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-(methylamino)-5-nitroso-pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[6-(methylamino)-5-nitroso-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(methylamino)-5-nitroso-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(methylamino)-5-nitrosopyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(methylamino)-5-nitroso-pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C8H10N4O3S MolecularWeight: 242.255

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)SCC(=O)OC)N=O

Isomeric SMILES

CNC1=C(C(=NC=N1)SCC(=O)OC)N=O

InChI

InChI=1S/C8H10N4O3S/c1-9-7-6(12-14)8(11-4-10-7)16-3-5(13)15-2/h4H,3H2,1-2H3,(H,9,10,11)