methyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-4-methoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-4-methoxy-phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetate CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetate Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetic acid methyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CC(=O)OC)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CC(=O)OC)OC

InChI

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