N-methyl-2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: N-methyl-2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4,6-bis(benzylsulfanyl)-N-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-methyl-2-(methylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4,6-bis(benzylsulfanyl)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4,6-bis(benzylthio)-N-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C21H21N3OS3 MolecularWeight: 427.60594

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)SC)SCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)SC)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS3/c1-22-18(25)17-19(27-13-15-9-5-3-6-10-15)23-21(26-2)24-20(17)28-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,25)