4-(1,3-dioxan-4-ylmethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(1,3-dioxan-4-ylmethylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-dioxan-4-ylmethylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(1,3-dioxan-4-ylmethylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-8(2)12-15-9(3)11(14(17)18)13(16-12)21-6-10-4-5-19-7-20-10/h8,10H,4-7H2,1-3H3,(H,17,18)