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

Systemtic Name: 4-[(4-fluorophenyl)methylamino]-2-methylsulfanyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-6-[(4-fluorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-[(4-fluorophenyl)methylamino]-2-(methylthio)-6-(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-6-[(4-fluorophenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-6-[(4-fluorobenzyl)amino]-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H19FN4OS2 MolecularWeight: 414.519463

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4OS2/c1-27-20-24-18(23-11-13-7-9-15(21)10-8-13)16(17(22)26)19(25-20)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,22,26)(H,23,24,25)