methyl 2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl]propanoate

Systemtic Name: methyl 2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl]propanoate Openeye Name: methyl 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl]propanoate CAS Name: 2-[3-[(6-amino-2-butoxy-9-purinyl)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]propanoate Traditional Name: 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl]propionic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)C(C)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)C(C)C(=O)OC

InChI

InChI=1S/C20H25N5O3/c1-4-5-9-28-20-23-17(21)16-18(24-20)25(12-22-16)11-14-7-6-8-15(10-14)13(2)19(26)27-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H2,21,23,24)