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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(benzylthio)-5-(2,5-dimethylbenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-18-13-14-19(2)22(15-18)16-23-24(21-11-7-4-8-12-21)27-26(28-25(23)29)30-17-20-9-5-3-6-10-20/h3-15,23-24,26-27H,16-17H2,1-2H3,(H,28,29)