5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(8-butyl-9-purinyl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzoic acid Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=CN=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CN=CN=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H22N4O2/c1-2-3-9-21-26-20-13-24-15-25-22(20)27(21)14-16-10-11-18(19(12-16)23(28)29)17-7-5-4-6-8-17/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,28,29)