2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(naphthalen-1-ylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(naphthalen-1-ylmethyl)pyrimidin-4-olate Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(1-naphthylmethyl)pyrimidin-4-olate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-(1-naphthalenylmethyl)-4-pyrimidinolate IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-(naphthalen-1-ylmethyl)pyrimidin-4-olate Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-(1-naphthylmethyl)pyrimidin-4-olate Formula: C25H23N2O2S- MolecularWeight: 415.52732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C25H24N2O2S/c1-17-12-18(2)14-22(13-17)29-10-11-30-25-26-21(16-24(28)27-25)15-20-8-5-7-19-6-3-4-9-23(19)20/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,26,27,28)/p-1