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2-[4-[(6-azanyl-8-butyl-purin-9-yl)methyl]phenyl]benzoic acid

2-[4-[(6-azanyl-8-butyl-purin-9-yl)methyl]phenyl]benzoic acid

Systemtic Name:2-[4-[(6-azanyl-8-butyl-purin-9-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(6-amino-8-butyl-purin-9-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(6-amino-8-butyl-9-purinyl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(6-amino-8-butylpurin-9-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(6-amino-8-butyl-purin-9-yl)methyl]phenyl]benzoic acid
Formula: C23H23N5O2
MolecularWeight: 401.46102
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=CN=C2N


Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=CN=C2N


InChI

InChI=1S/C23H23N5O2/c1-2-3-8-19-27-20-21(24)25-14-26-22(20)28(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23(29)30/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,29,30)(H2,24,25,26)


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