2-azanyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one

Systemtic Name: 2-azanyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-3-[[4-(1-imidazolylmethyl)phenyl]methyl]-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-3-[4-(imidazol-1-ylmethyl)benzyl]-7-(2-naphthylmethyl)purin-6-one Formula: C27H23N7O MolecularWeight: 461.51782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)CN6C=CN=C6)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)CN6C=CN=C6)N

InChI

InChI=1S/C27H23N7O/c28-27-31-26(35)24-25(30-18-33(24)15-21-9-10-22-3-1-2-4-23(22)13-21)34(27)16-20-7-5-19(6-8-20)14-32-12-11-29-17-32/h1-13,17-18H,14-16H2,(H2,28,31,35)