6-phenyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-phenyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 6-phenyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-olate CAS Name: 6-phenyl-2-(3-pyridinylmethylthio)-4-pyrimidinolate IUPAC Name: 6-phenyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Traditional Name: 6-phenyl-2-(3-pyridylmethylthio)pyrimidin-4-olate Formula: C16H12N3OS- MolecularWeight: 294.35098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3OS/c20-15-9-14(13-6-2-1-3-7-13)18-16(19-15)21-11-12-5-4-8-17-10-12/h1-10H,11H2,(H,18,19,20)/p-1