2-azanyl-7,9-bis[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one bromide

Systemtic Name: 2-azanyl-7,9-bis[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one bromide Openeye Name: 2-amino-7,9-bis[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one bromide CAS Name: 2-amino-7,9-bis[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one bromide IUPAC Name: 2-amino-7,9-bis[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one bromide Traditional Name: 2-amino-7,9-bis(4-phenylbenzyl)-3H-purin-9-ium-6-one bromide Formula: C31H26BrN5O MolecularWeight: 564.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC=C(C=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC=C(C=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C31H25N5O.BrH/c32-31-33-29-28(30(37)34-31)35(19-22-11-15-26(16-12-22)24-7-3-1-4-8-24)21-36(29)20-23-13-17-27(18-14-23)25-9-5-2-6-10-25;/h1-18,21H,19-20H2,(H2-,32,33,34,37);1H