2-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-5-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-5-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrimidin-6-one Openeye Name: 5-(2-benzylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-5-[2-(phenylmethylthio)ethyl]-1H-pyrimidin-6-one IUPAC Name: 5-(2-benzylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-[2-(benzylthio)ethyl]-2-(2,4-dimethylbenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=NC(=C(C(=O)N2)CCSCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=NC(=C(C(=O)N2)CCSCC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H24N2O2S/c1-15-8-9-18(16(2)12-15)13-20-23-21(25)19(22(26)24-20)10-11-27-14-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,24,25,26)