2-[(4-aminophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)N)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)N)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-23-15-8-4-13(5-9-15)16-10-17(22)21-18(20-16)24-11-12-2-6-14(19)7-3-12/h2-10H,11,19H2,1H3,(H,20,21,22)/p-1