6-azanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate

Systemtic Name: 6-azanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-amino-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-amino-2-phenyl-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-amino-2-phenyl-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-amino-2-phenyl-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C28H22N3OP MolecularWeight: 447.467541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=N2)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C28H22N3OP/c29-26-25(28(32)31-27(30-26)21-13-5-1-6-14-21)33(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H2-,29,30,31,32)