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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NCC(C)C)C(=O)O

InChI

InChI=1S/C12H17N3O4S/c1-6(2)4-13-8(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)