2-azanyl-7-(naphthalen-2-ylmethyl)-9-[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-7-(naphthalen-2-ylmethyl)-9-[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one Openeye Name: 2-amino-7-(2-naphthylmethyl)-9-[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one CAS Name: 2-amino-7-(2-naphthalenylmethyl)-9-[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-(naphthalen-2-ylmethyl)-9-[(4-phenylphenyl)methyl]-3H-purin-9-ium-6-one Traditional Name: 2-amino-7-(2-naphthylmethyl)-9-(4-phenylbenzyl)-3H-purin-9-ium-6-one Formula: C29H24N5O+ MolecularWeight: 458.53376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C[N+]3=CN(C4=C3NC(=NC4=O)N)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[N+]3=CN(C4=C3NC(=NC4=O)N)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H23N5O/c30-29-31-27-26(28(35)32-29)33(18-21-12-15-23-8-4-5-9-25(23)16-21)19-34(27)17-20-10-13-24(14-11-20)22-6-2-1-3-7-22/h1-16,19H,17-18H2,(H2-,30,31,32,35)/p+1