(2S)-2-azaniumyl-3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(2,4-dioxo-1H-pyrimidin-5-yl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(2,4-diketo-1H-pyrimidin-5-yl)methylthio]propionate Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=C(C(=O)NC(=O)N1)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C8H11N3O4S/c9-5(7(13)14)3-16-2-4-1-10-8(15)11-6(4)12/h1,5H,2-3,9H2,(H,13,14)(H2,10,11,12,15)/t5-/m1/s1