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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-2-isopentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-2-(3-methylbutylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(4-ethoxybenzyl)-2-(isoamylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S/c1-4-28-20-12-10-18(11-13-20)16-21-22(19-8-6-5-7-9-19)25-24(26-23(21)27)29-15-14-17(2)3/h5-13,17,21-22,24-25H,4,14-16H2,1-3H3,(H,26,27)