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

Systemtic Name: 5-butyl-2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-butyl-2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-2-[(4-ethoxyphenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-butyl-2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-butyl-2-[(4-ethoxybenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-3-5-11-20-21(18-9-7-6-8-10-18)24-23(25-22(20)26)28-16-17-12-14-19(15-13-17)27-4-2/h6-10,12-15,20-21,23-24H,3-5,11,16H2,1-2H3,(H,25,26)