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

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[2-(3,5-dimethylphenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C22H23N2O2S- MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-15-11-16(2)13-19(12-15)26-9-10-27-22-23-17(3)20(21(25)24-22)14-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,24,25)/p-1