6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-tert-butyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-olate CAS Name: 6-tert-butyl-2-[(2-methylphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-tert-butyl-2-[(2-methylbenzyl)thio]pyrimidin-4-olate Formula: C16H19N2OS- MolecularWeight: 287.39986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=CC(=N2)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=CC(=N2)[O-])C(C)(C)C

InChI

InChI=1S/C16H20N2OS/c1-11-7-5-6-8-12(11)10-20-15-17-13(16(2,3)4)9-14(19)18-15/h5-9H,10H2,1-4H3,(H,17,18,19)/p-1