2-[[2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4,6-bis(benzylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[2-(methylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4,6-bis(benzylsulfanyl)-2-methylsulfanylpyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[4,6-bis(benzylthio)-2-(methylthio)pyrimidine-5-carbonyl]amino]acetic acid Formula: C22H21N3O3S3 MolecularWeight: 471.61544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)NCC(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)NCC(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S3/c1-29-22-24-20(30-13-15-8-4-2-5-9-15)18(19(28)23-12-17(26)27)21(25-22)31-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,23,28)(H,26,27)