2-azanyl-3,7-bis[(4-phenylphenyl)methyl]purin-6-one

Systemtic Name: 2-azanyl-3,7-bis[(4-phenylphenyl)methyl]purin-6-one Openeye Name: 2-amino-3,7-bis[(4-phenylphenyl)methyl]purin-6-one CAS Name: 2-amino-3,7-bis[(4-phenylphenyl)methyl]-6-purinone IUPAC Name: 2-amino-3,7-bis[(4-phenylphenyl)methyl]purin-6-one Traditional Name: 2-amino-3,7-bis(4-phenylbenzyl)purin-6-one Formula: C31H25N5O MolecularWeight: 483.5631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)C6=CC=CC=C6)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C31H25N5O/c32-31-34-30(37)28-29(36(31)20-23-13-17-27(18-14-23)25-9-5-2-6-10-25)33-21-35(28)19-22-11-15-26(16-12-22)24-7-3-1-4-8-24/h1-18,21H,19-20H2,(H2,32,34,37)