ethyl 2-(2-azanyl-6-methyl-5-nitro-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-azanyl-6-methyl-5-nitro-pyrimidin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-amino-6-methyl-5-nitro-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-6-methyl-5-nitropyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2-amino-6-methyl-5-nitro-pyrimidin-4-yl)thio]acetic acid ethyl ester Formula: C9H12N4O4S MolecularWeight: 272.28098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1[N+](=O)[O-])C)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1[N+](=O)[O-])C)N

InChI

InChI=1S/C9H12N4O4S/c1-3-17-6(14)4-18-8-7(13(15)16)5(2)11-9(10)12-8/h3-4H2,1-2H3,(H2,10,11,12)