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

Systemtic Name: 4-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[2-keto-1-methyl-2-(sec-butylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)SC1=NC(=O)NC(=C1C(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)C(C)SC1=NC(=O)NC(=C1C(=O)O)C

InChI

InChI=1S/C13H19N3O4S/c1-5-6(2)14-10(17)8(4)21-11-9(12(18)19)7(3)15-13(20)16-11/h6,8H,5H2,1-4H3,(H,14,17)(H,18,19)(H,15,16,20)