4-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(2-oxo-2-ureido-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(carbamoylamino)-2-oxoethyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-[(2-keto-2-ureido-ethyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-5(2)9-14-6(3)8(11(18)19)10(16-9)21-4-7(17)15-12(13)20/h5H,4H2,1-3H3,(H,18,19)(H3,13,15,17,20)