methyl 3-(6-azanyl-5-nitro-pyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(6-azanyl-5-nitro-pyrimidin-4-yl)sulfanylpropanoate Openeye Name: methyl 3-(6-amino-5-nitro-pyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(6-amino-5-nitro-4-pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(6-amino-5-nitropyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)thio]propionic acid methyl ester Formula: C8H10N4O4S MolecularWeight: 258.2544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC=NC(=C1[N+](=O)[O-])N

Isomeric SMILES

COC(=O)CCSC1=NC=NC(=C1[N+](=O)[O-])N

InChI

InChI=1S/C8H10N4O4S/c1-16-5(13)2-3-17-8-6(12(14)15)7(9)10-4-11-8/h4H,2-3H2,1H3,(H2,9,10,11)