4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-(4-methoxy-4-oxo-butyl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxy-4-oxobutyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxy-4-oxobutyl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-[(4-keto-4-methoxy-butyl)thio]-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)SCCCC(=O)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCCCC(=O)OC)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-8(2)12-15-9(3)11(14(18)19)13(16-12)21-7-5-6-10(17)20-4/h8H,5-7H2,1-4H3,(H,18,19)