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

Systemtic Name: 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[2-keto-2-(propargylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-3-4-12-7(15)5-19-9-8(10(16)17)6(2)13-11(18)14-9/h1H,4-5H2,2H3,(H,12,15)(H,16,17)(H,13,14,18)