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

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-ethoxyphenyl)methylthio]-5-hexyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-ethoxybenzyl)thio]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2S/c1-3-5-6-10-13-22-23(20-11-8-7-9-12-20)26-25(27-24(22)28)30-18-19-14-16-21(17-15-19)29-4-2/h7-9,11-12,14-17,22-23,25-26H,3-6,10,13,18H2,1-2H3,(H,27,28)