5-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 5-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(2-chlorophenyl)methyl]-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(amylthio)-5-(2-chlorobenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2OS/c1-2-3-9-14-27-22-24-20(16-10-5-4-6-11-16)18(21(26)25-22)15-17-12-7-8-13-19(17)23/h4-8,10-13,18,20,22,24H,2-3,9,14-15H2,1H3,(H,25,26)