1,3-dimethyl-2,6-bis(oxidanylidene)-5-tris(4-methylphenyl)phosphaniumyloxy-pyrimidin-4-olate

Systemtic Name: 1,3-dimethyl-2,6-bis(oxidanylidene)-5-tris(4-methylphenyl)phosphaniumyloxy-pyrimidin-4-olate Openeye Name: 1,3-dimethyl-2,6-dioxo-5-(tris-p-tolylphosphaniumyloxy)pyrimidin-4-olate CAS Name: 1,3-dimethyl-2,6-dioxo-5-tris(4-methylphenyl)phosphiniumyloxy-4-pyrimidinolate IUPAC Name: 1,3-dimethyl-2,6-dioxo-5-tris(4-methylphenyl)phosphaniumyloxypyrimidin-4-olate Traditional Name: 2,6-diketo-1,3-dimethyl-5-(tris-p-tolylphosphiniumyloxy)pyrimidin-4-olate Formula: C27H27N2O4P MolecularWeight: 474.488041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[P+](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)OC4=C(N(C(=O)N(C4=O)C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[P+](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)OC4=C(N(C(=O)N(C4=O)C)C)[O-]

InChI

InChI=1S/C27H27N2O4P/c1-18-6-12-21(13-7-18)34(22-14-8-19(2)9-15-22,23-16-10-20(3)11-17-23)33-24-25(30)28(4)27(32)29(5)26(24)31/h6-17H,1-5H3