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

Systemtic Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-tert-butyl-2-[(2-chlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-tert-butyl-2-[(2-chlorobenzyl)thio]pyrimidin-4-olate Formula: C15H16ClN2OS- MolecularWeight: 307.81834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C15H17ClN2OS/c1-15(2,3)12-8-13(19)18-14(17-12)20-9-10-6-4-5-7-11(10)16/h4-8H,9H2,1-3H3,(H,17,18,19)/p-1