methyl 4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C20H25N5O6/c1-3-4-9-30-19-23-16(21)15-17(24-19)25(20(28)22-15)10-13(26)11-31-14-7-5-12(6-8-14)18(27)29-2/h5-8,13,26H,3-4,9-11H2,1-2H3,(H,22,28)(H2,21,23,24)