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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

InChI

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