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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-3-5-9-29-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-8-6-7-13(10-14)11-15(26)28-4-2/h6-8,10H,3-5,9,11-12H2,1-2H3,(H,22,27)(H2,21,23,24)