4-[(E)-3-chloranylprop-2-enyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(E)-3-chloranylprop-2-enyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-3-chloroallyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-3-chloroprop-2-enyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(E)-3-chloroprop-2-enyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-3-chloroallyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C9H9ClN2O3S MolecularWeight: 260.69736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC=CCl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC/C=C/Cl)C(=O)O

InChI

InChI=1S/C9H9ClN2O3S/c1-5-6(8(13)14)7(12-9(15)11-5)16-4-2-3-10/h2-3H,4H2,1H3,(H,13,14)(H,11,12,15)/b3-2+