methyl 2-[2-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)ethoxy]benzoate

Systemtic Name: methyl 2-[2-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)ethoxy]benzoate Openeye Name: methyl 2-[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethoxy]benzoate CAS Name: 2-[2-(6-amino-2-butoxy-8-methoxy-9-purinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethoxy]benzoate Traditional Name: 2-[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethoxy]benzoic acid methyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCOC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCOC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C20H25N5O5/c1-4-5-11-30-19-23-16(21)15-17(24-19)25(20(22-15)28-3)10-12-29-14-9-7-6-8-13(14)18(26)27-2/h6-9H,4-5,10-12H2,1-3H3,(H2,21,23,24)