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

Systemtic Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(butylthio)-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(butylthio)-5-(2,5-dimethylbenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1NC(C(C(=O)N1)CC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1NC(C(C(=O)N1)CC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2OS/c1-4-5-13-27-23-24-21(18-9-7-6-8-10-18)20(22(26)25-23)15-19-14-16(2)11-12-17(19)3/h6-12,14,20-21,23-24H,4-5,13,15H2,1-3H3,(H,25,26)