2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-methoxy-4-pyrimidinolate IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxypyrimidin-4-olate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-methoxy-pyrimidin-4-olate Formula: C16H19N2O2S- MolecularWeight: 303.39926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-17-9-13(20-4)14(19)18-15/h5-9H,10H2,1-4H3,(H,17,18,19)/p-1