2-azanyl-7-(naphthalen-2-ylmethyl)-1-[(3-phenoxyphenyl)methyl]purin-6-one

Systemtic Name: 2-azanyl-7-(naphthalen-2-ylmethyl)-1-[(3-phenoxyphenyl)methyl]purin-6-one Openeye Name: 2-amino-7-(2-naphthylmethyl)-1-[(3-phenoxyphenyl)methyl]purin-6-one CAS Name: 2-amino-7-(2-naphthalenylmethyl)-1-[(3-phenoxyphenyl)methyl]-6-purinone IUPAC Name: 2-amino-7-(naphthalen-2-ylmethyl)-1-[(3-phenoxyphenyl)methyl]purin-6-one Traditional Name: 2-amino-7-(2-naphthylmethyl)-1-(3-phenoxybenzyl)purin-6-one Formula: C29H23N5O2 MolecularWeight: 473.52522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C(=O)C4=C(N=CN4CC5=CC6=CC=CC=C6C=C5)N=C3N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C(=O)C4=C(N=CN4CC5=CC6=CC=CC=C6C=C5)N=C3N

InChI

InChI=1S/C29H23N5O2/c30-29-32-27-26(33(19-31-27)17-21-13-14-22-8-4-5-9-23(22)15-21)28(35)34(29)18-20-7-6-12-25(16-20)36-24-10-2-1-3-11-24/h1-16,19H,17-18H2,(H2,30,32)