2-butylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-butylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis(benzylsulfanyl)-2-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(butylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(benzylsulfanyl)-2-butylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4,6-bis(benzylthio)-2-(butylthio)pyrimidine-5-carboxylic acid Formula: C23H24N2O2S3 MolecularWeight: 456.64386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S3/c1-2-3-14-28-23-24-20(29-15-17-10-6-4-7-11-17)19(22(26)27)21(25-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,26,27)