5-butyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one

Systemtic Name: 5-butyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-butyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-6-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-butyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(benzylthio)-5-butyl-6-phenyl-hexahydropyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-2-3-14-18-19(17-12-8-5-9-13-17)22-21(23-20(18)24)25-15-16-10-6-4-7-11-16/h4-13,18-19,21-22H,2-3,14-15H2,1H3,(H,23,24)