3-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylpropanoate

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylpropanoate Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylpropanoate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]propanoate IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylpropanoate Traditional Name: 3-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylpropionate Formula: C9H11N3O4S-2 MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)CCC(=O)[O-])C

InChI

InChI=1S/C9H13N3O4S/c1-6-5-7(2)11-9(10-6)12-17(15,16)4-3-8(13)14/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14)/p-2