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

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(naphthalen-2-yloxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(2-naphthyloxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-(2-naphthalenyloxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(naphthalen-2-yloxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-(2-naphthoxymethyl)-1H-pyrimidin-4-one Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)COC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)COC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H24N2O3S/c1-17-11-18(2)13-23(12-17)29-9-10-31-25-26-21(15-24(28)27-25)16-30-22-8-7-19-5-3-4-6-20(19)14-22/h3-8,11-15H,9-10,16H2,1-2H3,(H,26,27,28)