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

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-heptyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-heptyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-ethoxyphenyl)methylthio]-5-heptyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-heptyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-ethoxybenzyl)thio]-5-heptyl-6-phenyl-hexahydropyrimidin-4-one Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

InChI

InChI=1S/C26H36N2O2S/c1-3-5-6-7-11-14-23-24(21-12-9-8-10-13-21)27-26(28-25(23)29)31-19-20-15-17-22(18-16-20)30-4-2/h8-10,12-13,15-18,23-24,26-27H,3-7,11,14,19H2,1-2H3,(H,28,29)