6-[(4-chloranylphenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[(4-chloranylphenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[(4-chlorophenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidin-4-olate CAS Name: 6-[(4-chlorophenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylthio]-4-pyrimidinolate IUPAC Name: 6-[(4-chlorophenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[(4-chlorophenoxy)methyl]-2-[2-(3,5-dimethylphenoxy)ethylthio]pyrimidin-4-olate Formula: C21H20ClN2O3S- MolecularWeight: 415.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])COC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])COC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O3S/c1-14-9-15(2)11-19(10-14)26-7-8-28-21-23-17(12-20(25)24-21)13-27-18-5-3-16(22)4-6-18/h3-6,9-12H,7-8,13H2,1-2H3,(H,23,24,25)/p-1