4-but-3-ynylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-but-3-ynylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-but-3-ynylsulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(but-3-ynylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-but-3-ynylsulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(but-3-ynylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCCC#C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCCC#C)C(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-5-6-7-18-12-10(13(16)17)9(4)14-11(15-12)8(2)3/h1,8H,6-7H2,2-4H3,(H,16,17)