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

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

Systemtic Name:2-[4-[(8-butyl-2-methoxy-purin-9-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(8-butyl-2-methoxy-purin-9-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(8-butyl-2-methoxy-9-purinyl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(8-butyl-2-methoxypurin-9-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(8-butyl-2-methoxy-purin-9-yl)methyl]phenyl]benzoic acid
Formula: C24H24N4O3
MolecularWeight: 416.47236
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC


Isomeric SMILES

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC


InChI

InChI=1S/C24H24N4O3/c1-3-4-9-21-26-20-14-25-24(31-2)27-22(20)28(21)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(29)30/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,29,30)


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