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

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-5-propyl-1,3-diazinan-4-one Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-5-propyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-ethoxyphenyl)methylthio]-6-phenyl-5-propyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-6-phenyl-5-propyl-1,3-diazinan-4-one Traditional Name: 2-[(4-ethoxybenzyl)thio]-6-phenyl-5-propyl-hexahydropyrimidin-4-one Formula: C44H56N4O4S2 MolecularWeight: 769.06984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3.CCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3.CCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)OCC)C3=CC=CC=C3

InChI

InChI=1S/2C22H28N2O2S/c2*1-3-8-19-20(17-9-6-5-7-10-17)23-22(24-21(19)25)27-15-16-11-13-18(14-12-16)26-4-2/h2*5-7,9-14,19-20,22-23H,3-4,8,15H2,1-2H3,(H,24,25)