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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-6-8(10(17)18)9(14-11(19)13-6)20-5-7(16)15-12(2,3)4/h5H2,1-4H3,(H,15,16)(H,17,18)(H,13,14,19)