methyl 3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoate

Systemtic Name: methyl 3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoate Openeye Name: methyl 3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoate CAS Name: 3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoate Traditional Name: 3-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]benzoic acid methyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H23N5O5/c1-3-4-9-29-18-22-15(20)14-16(23-18)24(19(26)21-14)8-10-28-13-7-5-6-12(11-13)17(25)27-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,21,26)(H2,20,22,23)