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

Systemtic Name: 6-methyl-2-oxidanylidene-4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-4-5-13-9(16)7(3)20-10-8(11(17)18)6(2)14-12(19)15-10/h1,7H,5H2,2-3H3,(H,13,16)(H,17,18)(H,14,15,19)