2-butylsulfanyl-6-[(4-chloranylphenoxy)methyl]pyrimidin-4-olate

Systemtic Name: 2-butylsulfanyl-6-[(4-chloranylphenoxy)methyl]pyrimidin-4-olate Openeye Name: 2-butylsulfanyl-6-[(4-chlorophenoxy)methyl]pyrimidin-4-olate CAS Name: 2-(butylthio)-6-[(4-chlorophenoxy)methyl]-4-pyrimidinolate IUPAC Name: 2-butylsulfanyl-6-[(4-chlorophenoxy)methyl]pyrimidin-4-olate Traditional Name: 2-(butylthio)-6-[(4-chlorophenoxy)methyl]pyrimidin-4-olate Formula: C15H16ClN2O2S- MolecularWeight: 323.81774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)[O-])COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)[O-])COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2O2S/c1-2-3-8-21-15-17-12(9-14(19)18-15)10-20-13-6-4-11(16)5-7-13/h4-7,9H,2-3,8,10H2,1H3,(H,17,18,19)/p-1