1-(2-methylsulfanylpyrimidin-4-yl)carbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylpyrimidin-4-yl)carbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: 1-(2-methylsulfanylpyrimidine-4-carbonyl)hexahydropyridazine-3-carboxylic acid CAS Name: 1-[[2-(methylthio)-4-pyrimidinyl]-oxomethyl]-3-diazinanecarboxylic acid IUPAC Name: 1-(2-methylsulfanylpyrimidine-4-carbonyl)diazinane-3-carboxylic acid Traditional Name: 1-[2-(methylthio)pyrimidine-4-carbonyl]hexahydropyridazine-3-carboxylic acid Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(=O)N2CCCC(N2)C(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C(=O)N2CCCC(N2)C(=O)O

InChI

InChI=1S/C11H14N4O3S/c1-19-11-12-5-4-7(13-11)9(16)15-6-2-3-8(14-15)10(17)18/h4-5,8,14H,2-3,6H2,1H3,(H,17,18)