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

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-2-phenacylsulfanyl-1,3-diazinan-4-one Openeye Name: 3-[(2,4-dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-2-phenacylsulfanyl-hexahydropyrimidin-4-one CAS Name: 3-[(2,4-dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-2-(phenacylthio)-1,3-diazinan-4-one IUPAC Name: 3-[(2,4-dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-2-phenacylsulfanyl-1,3-diazinan-4-one Traditional Name: 3-(2,4-dimethylbenzyl)-6-methyl-5-p-anisyl-2-(phenacylthio)hexahydropyrimidin-4-one Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3S/c1-20-10-13-25(21(2)16-20)18-32-29(34)27(17-23-11-14-26(35-4)15-12-23)22(3)31-30(32)36-19-28(33)24-8-6-5-7-9-24/h5-16,22,27,30-31H,17-19H2,1-4H3