2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-[2-(3,5-dimethylphenoxy)ethylthio]-1H-pyrimidin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-15-10-16(2)12-19(11-15)25-8-9-26-21-22-18(14-20(24)23-21)13-17-6-4-3-5-7-17/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,23,24)