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

Systemtic Name: 2-cyclopropyl-4-methyl-6-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-[2-(methylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-[[2-(methylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-[2-(methylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(methylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-6-9(12(17)18)11(19-5-8(16)13-2)15-10(14-6)7-3-4-7/h7H,3-5H2,1-2H3,(H,13,16)(H,17,18)