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

Systemtic Name: 4-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-(2-oxo-2-ureido-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(carbamoylamino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-[(2-keto-2-ureido-ethyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(=O)N)C(=O)O

InChI

InChI=1S/C12H14N4O4S/c1-5-8(11(18)19)10(16-9(14-5)6-2-3-6)21-4-7(17)15-12(13)20/h6H,2-4H2,1H3,(H,18,19)(H3,13,15,17,20)