2-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-ethoxyphenyl)methylthio]-5-ethyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-ethoxybenzyl)thio]-5-ethyl-6-phenyl-hexahydropyrimidin-4-one Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-3-18-19(16-8-6-5-7-9-16)22-21(23-20(18)24)26-14-15-10-12-17(13-11-15)25-4-2/h5-13,18-19,21-22H,3-4,14H2,1-2H3,(H,23,24)