2-methylsulfanyl-4-(phenylmethylsulfanyl)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-(phenylmethylsulfanyl)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-(phenylmethylthio)-6-(3-phenylpropylamino)-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-2-(methylthio)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS2/c1-28-22-25-20(24-14-8-13-16-9-4-2-5-10-16)18(19(23)27)21(26-22)29-15-17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H2,23,27)(H,24,25,26)