5-chloranyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H16ClN3O3S/c14-9-6-15-13(17-11(9)12(19)20)21-7-10(18)16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,16,18)(H,19,20)