4-[3-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[3-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[3-(6-amino-2-butoxy-8-methoxy-purin-9-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(6-amino-2-butoxy-8-methoxy-9-purinyl)-2-hydroxypropoxy]benzoate IUPAC Name: 4-[3-(6-amino-2-butoxy-8-methoxypurin-9-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(6-amino-2-butoxy-8-methoxy-purin-9-yl)-2-hydroxy-propoxy]benzoate Formula: C20H24N5O6- MolecularWeight: 430.43446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC(COC3=CC=C(C=C3)C(=O)[O-])O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC(COC3=CC=C(C=C3)C(=O)[O-])O)OC

InChI

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