methyl 4-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]benzoate

Systemtic Name: methyl 4-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]benzoate Openeye Name: methyl 4-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]benzoate CAS Name: 4-[2-(6-amino-2-butoxy-9-purinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-amino-2-butoxypurin-9-yl)ethoxy]benzoate Traditional Name: 4-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]benzoic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N5O4/c1-3-4-10-28-19-22-16(20)15-17(23-19)24(12-21-15)9-11-27-14-7-5-13(6-8-14)18(25)26-2/h5-8,12H,3-4,9-11H2,1-2H3,(H2,20,22,23)