4-[(E)-but-2-enyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(E)-but-2-enyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-but-2-enyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-but-2-enyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-but-2-enyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-but-2-enyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

C/C=C/CSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C13H18N2O2S/c1-5-6-7-18-12-10(13(16)17)9(4)14-11(15-12)8(2)3/h5-6,8H,7H2,1-4H3,(H,16,17)/b6-5+