6-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylic acid

Systemtic Name: 6-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylic acid Openeye Name: 6-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylic acid CAS Name: 6-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-3-(methylthio)-1,2,4-triazine-5-carboxylic acid IUPAC Name: 6-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylic acid Traditional Name: 6-[(3S)-3-amino-4-hydroxy-4-keto-butyl]-3-(methylthio)-1,2,4-triazine-5-carboxylic acid Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(N=N1)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

CSC1=NC(=C(N=N1)CC[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H12N4O4S/c1-18-9-11-6(8(16)17)5(12-13-9)3-2-4(10)7(14)15/h4H,2-3,10H2,1H3,(H,14,15)(H,16,17)/t4-/m0/s1