4-methyl-6-(3-oxidanylpropylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(3-oxidanylpropylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-hydroxypropylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3-hydroxypropylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-hydroxypropylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(3-hydroxypropylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-7(2)10-13-8(3)9(12(16)17)11(14-10)18-6-4-5-15/h7,15H,4-6H2,1-3H3,(H,16,17)