methyl 2-(2-azanyl-6-chloranyl-5-methanoyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2-azanyl-6-chloranyl-5-methanoyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(2-amino-6-chloro-5-formyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2-amino-6-chloro-5-formyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-6-chloro-5-formylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2-amino-6-chloro-5-formyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C8H8ClN3O3S MolecularWeight: 261.68542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=NC(=N1)N)Cl)C=O

Isomeric SMILES

COC(=O)CSC1=C(C(=NC(=N1)N)Cl)C=O

InChI

InChI=1S/C8H8ClN3O3S/c1-15-5(14)3-16-7-4(2-13)6(9)11-8(10)12-7/h2H,3H2,1H3,(H2,10,11,12)