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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-heptyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-heptyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-heptyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-heptyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-heptyl-6-phenyl-hexahydropyrimidin-4-one Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H36N2OS/c1-4-5-6-7-11-14-23-24(21-12-9-8-10-13-21)27-26(28-25(23)29)30-18-22-16-15-19(2)17-20(22)3/h8-10,12-13,15-17,23-24,26-27H,4-7,11,14,18H2,1-3H3,(H,28,29)