4-(1,3-dioxan-4-ylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(1,3-dioxan-4-ylmethylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(1,3-dioxan-4-ylmethylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2CCOCO2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2CCOCO2)C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-7-10(12(15)16)11(14-8(2)13-7)19-5-9-3-4-17-6-18-9/h9H,3-6H2,1-2H3,(H,15,16)