methyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-5-methyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-5-methyl-phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-5-methyl-phenyl]acetate CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-5-methylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-5-methylphenyl]acetate Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-5-methyl-phenyl]acetic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-4-5-6-29-19-23-17(21)16-18(24-19)25(20(27)22-16)11-14-8-12(2)7-13(9-14)10-15(26)28-3/h7-9H,4-6,10-11H2,1-3H3,(H,22,27)(H2,21,23,24)