1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate CAS Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 1,3-dimethyl-2,6-dioxo-4-pyrimidinolate IUPAC Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 1,3-dimethyl-2,6-dioxopyrimidin-4-olate Traditional Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2,6-diketo-1,3-dimethyl-pyrimidin-4-olate Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.CN1C(=CC(=O)N(C1=O)C)[O-]

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.CN1C(=CC(=O)N(C1=O)C)[O-]

InChI

InChI=1S/C18H20N3.C6H8N2O3/c1-18(2,3)21-14-20(16-12-8-5-9-13-16)17(19-21)15-10-6-4-7-11-15;1-7-4(9)3-5(10)8(2)6(7)11/h4-14H,1-3H3;3,9H,1-2H3/q+1;/p-1