2-[(3-azanyl-4-methoxy-phenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-azanyl-4-methoxy-phenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(3-amino-4-methoxy-phenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(3-amino-4-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(3-amino-4-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(3-amino-4-methoxy-benzyl)thio]pyrimidin-4-olate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=CC(=N2)[O-])N

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=CC(=N2)[O-])N

InChI

InChI=1S/C12H13N3O2S/c1-17-10-3-2-8(6-9(10)13)7-18-12-14-5-4-11(16)15-12/h2-6H,7,13H2,1H3,(H,14,15,16)/p-1