4-[(4-methylphenyl)methylamino]-2-methylsulfanyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(4-methylphenyl)methylamino]-2-methylsulfanyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-2-methylsulfanyl-6-(p-tolylmethylamino)pyrimidine-5-carboxamide CAS Name: 4-[(4-methylphenyl)methylamino]-2-(methylthio)-6-(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-6-[(4-methylphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-6-[(4-methylbenzyl)amino]-2-(methylthio)pyrimidine-5-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC(=N2)SC)SCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC(=N2)SC)SCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H22N4OS2/c1-14-8-10-15(11-9-14)12-23-19-17(18(22)26)20(25-21(24-19)27-2)28-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H2,22,26)(H,23,24,25)