2-azanyl-1-[(4-imidazol-1-ylphenyl)methyl]-7-(naphthalen-2-ylmethyl)purin-6-one

Systemtic Name: 2-azanyl-1-[(4-imidazol-1-ylphenyl)methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-1-[(4-imidazol-1-ylphenyl)methyl]-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-1-[[4-(1-imidazolyl)phenyl]methyl]-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-1-[(4-imidazol-1-ylphenyl)methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-1-(4-imidazol-1-ylbenzyl)-7-(2-naphthylmethyl)purin-6-one Formula: C26H21N7O MolecularWeight: 447.49124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC=C(C=C5)N6C=CN=C6

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC=C(C=C5)N6C=CN=C6

InChI

InChI=1S/C26H21N7O/c27-26-30-24-23(32(17-29-24)14-19-5-8-20-3-1-2-4-21(20)13-19)25(34)33(26)15-18-6-9-22(10-7-18)31-12-11-28-16-31/h1-13,16-17H,14-15H2,(H2,27,30)