(2S)-2-azaniumyl-4-[[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-methyl-sulfonio]butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-methyl-sulfonio]butanoate Openeye Name: (2S)-2-azaniumyl-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-methyl-sulfonio]butanoate CAS Name: (2S)-2-ammonio-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-methylsulfonio]butanoate IUPAC Name: (2S)-2-azaniumyl-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-methylsulfonio]butanoate Traditional Name: (2S)-2-ammonio-4-[(4-hydroxy-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-methyl-sulfonio]butyrate Formula: C11H18N3O5S+ MolecularWeight: 304.34272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[S+](C)CCC(C(=O)[O-])[NH3+])O

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[S+](C)CC[C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C11H17N3O5S/c1-13-8(15)7(9(16)14(2)11(13)19)20(3)5-4-6(12)10(17)18/h6H,4-5,12H2,1-3H3,(H-,15,16,17,18)/p+1/t6-,20?/m0/s1