2-[(8-butylpurin-9-yl)methyl]-6-phenyl-benzoate

Systemtic Name: 2-[(8-butylpurin-9-yl)methyl]-6-phenyl-benzoate Openeye Name: 2-[(8-butylpurin-9-yl)methyl]-6-phenyl-benzoate CAS Name: 2-[(8-butyl-9-purinyl)methyl]-6-phenylbenzoate IUPAC Name: 2-[(8-butylpurin-9-yl)methyl]-6-phenylbenzoate Traditional Name: 2-[(8-butylpurin-9-yl)methyl]-6-phenyl-benzoate Formula: C23H21N4O2- MolecularWeight: 385.43844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=CN=C2N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=CN=CN=C2N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4

InChI

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