4-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(tert-butylamino)-2-keto-1-methyl-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)SC(C)C(=O)NC(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-6-8(11(18)19)10(15-12(20)14-6)21-7(2)9(17)16-13(3,4)5/h7H,1-5H3,(H,16,17)(H,18,19)(H,14,15,20)