2-methylsulfanyl-4-(phenethylamino)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-(phenethylamino)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-(phenethylamino)-6-(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-2-(methylthio)-6-(phenethylamino)pyrimidine-5-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-27-21-24-19(23-13-12-15-8-4-2-5-9-15)17(18(22)26)20(25-21)28-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H2,22,26)(H,23,24,25)