1,6-dimethoxy-N1-(oxan-4-yl)-5-(2-phenylethynyl)-5-(phenylmethyl)-4H-pyrimidin-1-ium-1,2,6-triamine

Systemtic Name: 1,6-dimethoxy-N1-(oxan-4-yl)-5-(2-phenylethynyl)-5-(phenylmethyl)-4H-pyrimidin-1-ium-1,2,6-triamine Openeye Name: 5-benzyl-1,6-dimethoxy-5-(2-phenylethynyl)-N1-tetrahydropyran-4-yl-4H-pyrimidin-1-ium-1,2,6-triamine CAS Name: 1,6-dimethoxy-N1-(4-oxanyl)-5-(2-phenylethynyl)-5-(phenylmethyl)-4H-pyrimidin-1-ium-1,2,6-triamine IUPAC Name: 5-benzyl-1,6-dimethoxy-1-N-(oxan-4-yl)-5-(2-phenylethynyl)-4H-pyrimidin-1-ium-1,2,6-triamine Traditional Name: [2,6-diamino-5-benzyl-1,6-dimethoxy-5-(2-phenylethynyl)-4H-pyrimidin-1-ium-1-yl]-tetrahydropyran-4-yl-amine Formula: C26H34N5O3+ MolecularWeight: 464.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(CN=C([N+]1(NC2CCOCC2)OC)N)(CC3=CC=CC=C3)C#CC4=CC=CC=C4)N

Isomeric SMILES

COC1(C(CN=C([N+]1(NC2CCOCC2)OC)N)(CC3=CC=CC=C3)C#CC4=CC=CC=C4)N

InChI

InChI=1S/C26H34N5O3/c1-32-26(28)25(19-22-11-7-4-8-12-22,16-13-21-9-5-3-6-10-21)20-29-24(27)31(26,33-2)30-23-14-17-34-18-15-23/h3-12,23,30H,14-15,17-20,28H2,1-2H3,(H2,27,29)/q+1