2-[(4-aminophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C13H14N3OS- MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC2=CC=C(C=C2)N)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC2=CC=C(C=C2)N)C

InChI

InChI=1S/C13H15N3OS/c1-8-9(2)15-13(16-12(8)17)18-7-10-3-5-11(14)6-4-10/h3-6H,7,14H2,1-2H3,(H,15,16,17)/p-1