2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-[(4-methoxyphenyl)methyl]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-6-methyl-5-p-anisyl-pyrimidin-4-olate Formula: C22H23N2O2S- MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C22H24N2O2S/c1-14-5-8-18(15(2)11-14)13-27-22-23-16(3)20(21(25)24-22)12-17-6-9-19(26-4)10-7-17/h5-11H,12-13H2,1-4H3,(H,23,24,25)/p-1