6-methyl-4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-6(2)7(3)14-9(17)5-21-11-10(12(18)19)8(4)15-13(20)16-11/h6-7H,5H2,1-4H3,(H,14,17)(H,18,19)(H,15,16,20)