1,3,7-tris(phenylmethyl)purin-1-ium-2-one

Systemtic Name: 1,3,7-tris(phenylmethyl)purin-1-ium-2-one Openeye Name: 1,3,7-tribenzylpurin-1-ium-2-one CAS Name: 1,3,7-tris(phenylmethyl)-2-purin-1-iumone IUPAC Name: 1,3,7-tribenzylpurin-1-ium-2-one Traditional Name: 1,3,7-tribenzylpurin-1-ium-2-one Formula: C26H23N4O+ MolecularWeight: 407.48702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C=[N+](C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C=[N+](C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N4O/c31-26-28(16-21-10-4-1-5-11-21)19-24-25(30(26)18-23-14-8-3-9-15-23)27-20-29(24)17-22-12-6-2-7-13-22/h1-15,19-20H,16-18H2/q+1