2-methylsulfanyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-6-benzylsulfanyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-[(phenylmethyl)amino]-6-(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-6-(benzylthio)-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS2/c1-26-20-23-18(22-12-14-8-4-2-5-9-14)16(17(21)25)19(24-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,21,25)(H,22,23,24)