4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[2-keto-2-(sec-butylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=O)NC(=C1C(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=O)NC(=C1C(=O)O)C

InChI

InChI=1S/C12H17N3O4S/c1-4-6(2)13-8(16)5-20-10-9(11(17)18)7(3)14-12(19)15-10/h6H,4-5H2,1-3H3,(H,13,16)(H,17,18)(H,14,15,19)