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

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 5-benzyl-2-benzylsulfanyl-3-[(2,4-dimethylphenyl)methyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 3-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(phenylmethyl)-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 5-benzyl-2-benzylsulfanyl-3-[(2,4-dimethylphenyl)methyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 5-benzyl-2-(benzylthio)-3-(2,4-dimethylbenzyl)-6-methyl-hexahydropyrimidin-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)SCC2=CC=CC=C2)CC3=C(C=C(C=C3)C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1C(C(=O)N(C(N1)SCC2=CC=CC=C2)CC3=C(C=C(C=C3)C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N2OS/c1-20-14-15-25(21(2)16-20)18-30-27(31)26(17-23-10-6-4-7-11-23)22(3)29-28(30)32-19-24-12-8-5-9-13-24/h4-16,22,26,28-29H,17-19H2,1-3H3