methyl 2-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4S/c1-18-8(15)5-19-10-11-4-7(14(16)17)9(13-10)12-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,12,13)