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

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C17H14N3OS- MolecularWeight: 308.37756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS/c18-14-8-6-12(7-9-14)11-22-17-19-15(10-16(21)20-17)13-4-2-1-3-5-13/h1-10H,11,18H2,(H,19,20,21)/p-1