2-butylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: 2-butylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxamide Openeye Name: 4,6-bis(benzylsulfanyl)-2-butylsulfanyl-pyrimidine-5-carboxamide CAS Name: 2-(butylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxamide IUPAC Name: 4,6-bis(benzylsulfanyl)-2-butylsulfanylpyrimidine-5-carboxamide Traditional Name: 4,6-bis(benzylthio)-2-(butylthio)pyrimidine-5-carboxamide Formula: C23H25N3OS3 MolecularWeight: 455.6591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)SCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3OS3/c1-2-3-14-28-23-25-21(29-15-17-10-6-4-7-11-17)19(20(24)27)22(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H2,24,27)