6-methyl-2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[2-(2-isopropyl-4-methyl-phenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[2-(2-isopropyl-4-methyl-phenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C17H21N2O2S- MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-11(2)14-9-12(3)5-6-15(14)21-7-8-22-17-18-13(4)10-16(20)19-17/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)/p-1