4-azanyl-2-(2-oxidanylidenebutylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(2-oxidanylidenebutylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-(2-oxobutylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-(2-oxobutylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-(2-oxobutylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-(2-ketobutylthio)pyrimidine-5-carboxylic acid Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O3S/c1-2-5(13)4-16-9-11-3-6(8(14)15)7(10)12-9/h3H,2,4H2,1H3,(H,14,15)(H2,10,11,12)