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

Systemtic Name: ethyl 3-(6-azanyl-5-nitro-pyrimidin-4-yl)sulfanylpropanoate Openeye Name: ethyl 3-(6-amino-5-nitro-pyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(6-amino-5-nitro-4-pyrimidinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-amino-5-nitropyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)thio]propionic acid ethyl ester Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O4S/c1-2-17-6(14)3-4-18-9-7(13(15)16)8(10)11-5-12-9/h5H,2-4H2,1H3,(H2,10,11,12)