2-[2-[(3,5-dimethylphenyl)methoxy]ethylsulfanyl]-6-(diphenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)methoxy]ethylsulfanyl]-6-(diphenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzhydryl-2-[2-[(3,5-dimethylphenyl)methoxy]ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 2-[2-[(3,5-dimethylphenyl)methoxy]ethylthio]-6-(diphenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzhydryl-2-[2-[(3,5-dimethylphenyl)methoxy]ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-benzhydryl-2-[2-(3,5-dimethylbenzyl)oxyethylthio]-1H-pyrimidin-4-one Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COCCSC2=NC(=O)C=C(N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COCCSC2=NC(=O)C=C(N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O2S/c1-20-15-21(2)17-22(16-20)19-32-13-14-33-28-29-25(18-26(31)30-28)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,15-18,27H,13-14,19H2,1-2H3,(H,29,30,31)