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tert-butyl 3-[3-(6-azanyl-2-butoxy-purin-9-yl)propyl]benzoate

tert-butyl 3-[3-(6-azanyl-2-butoxy-purin-9-yl)propyl]benzoate

Systemtic Name:tert-butyl 3-[3-(6-azanyl-2-butoxy-purin-9-yl)propyl]benzoate
Openeye Name:tert-butyl 3-[3-(6-amino-2-butoxy-purin-9-yl)propyl]benzoate
CAS Name:3-[3-(6-amino-2-butoxy-9-purinyl)propyl]benzoic acid tert-butyl ester
IUPAC Name:tert-butyl 3-[3-(6-amino-2-butoxypurin-9-yl)propyl]benzoate
Traditional Name:3-[3-(6-amino-2-butoxy-purin-9-yl)propyl]benzoic acid tert-butyl ester
Formula: C23H31N5O3
MolecularWeight: 425.52394
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCCC3=CC=CC(=C3)C(=O)OC(C)(C)C


Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCCC3=CC=CC(=C3)C(=O)OC(C)(C)C


InChI

InChI=1S/C23H31N5O3/c1-5-6-13-30-22-26-19(24)18-20(27-22)28(15-25-18)12-8-10-16-9-7-11-17(14-16)21(29)31-23(2,3)4/h7,9,11,14-15H,5-6,8,10,12-13H2,1-4H3,(H2,24,26,27)


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