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

Systemtic Name: 2-azanyl-3-(naphthalen-2-ylmethyl)-7-[(4-phenylphenyl)methyl]purin-6-one Openeye Name: 2-amino-3-(2-naphthylmethyl)-7-[(4-phenylphenyl)methyl]purin-6-one CAS Name: 2-amino-3-(2-naphthalenylmethyl)-7-[(4-phenylphenyl)methyl]-6-purinone IUPAC Name: 2-amino-3-(naphthalen-2-ylmethyl)-7-[(4-phenylphenyl)methyl]purin-6-one Traditional Name: 2-amino-3-(2-naphthylmethyl)-7-(4-phenylbenzyl)purin-6-one Formula: C29H23N5O MolecularWeight: 457.52582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC4=C3C(=O)N=C(N4CC5=CC6=CC=CC=C6C=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC4=C3C(=O)N=C(N4CC5=CC6=CC=CC=C6C=C5)N

InChI

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