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

Systemtic Name: 2-azanyl-7-(naphthalen-2-ylmethyl)-3-[(4-phenylphenyl)methyl]purin-6-one Openeye Name: 2-amino-7-(2-naphthylmethyl)-3-[(4-phenylphenyl)methyl]purin-6-one CAS Name: 2-amino-7-(2-naphthalenylmethyl)-3-[(4-phenylphenyl)methyl]-6-purinone IUPAC Name: 2-amino-7-(naphthalen-2-ylmethyl)-3-[(4-phenylphenyl)methyl]purin-6-one Traditional Name: 2-amino-7-(2-naphthylmethyl)-3-(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)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

InChI

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