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

Systemtic Name: 6-methyl-2-oxidanylidene-4-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(allylamino)-2-keto-1-methyl-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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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/C12H15N3O4S/c1-4-5-13-9(16)7(3)20-10-8(11(17)18)6(2)14-12(19)15-10/h4,7H,1,5H2,2-3H3,(H,13,16)(H,17,18)(H,14,15,19)