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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-2-(2-methylpropylsulfanyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-2-isobutylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-2-(2-methylpropylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-2-(2-methylpropylsulfanyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(4-ethoxybenzyl)-2-(isobutylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-4-27-19-12-10-17(11-13-19)14-20-21(18-8-6-5-7-9-18)24-23(25-22(20)26)28-15-16(2)3/h5-13,16,20-21,23-24H,4,14-15H2,1-3H3,(H,25,26)