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

Systemtic Name: 4-(cyclohexylmethylamino)-2-methylsulfanyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-6-(cyclohexylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-(methylthio)-6-(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-6-(cyclohexylmethylamino)-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-6-(cyclohexylmethylamino)-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3CCCCC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3CCCCC3

InChI

InChI=1S/C20H26N4OS2/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/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,21,25)(H,22,23,24)