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

Systemtic Name: methyl 3-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]propanoate Openeye Name: methyl 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propanoate CAS Name: 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propanoate Traditional Name: 3-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]propionic 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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-3-4-10-29-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-7-5-6-13(11-14)8-9-15(26)28-2/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,22,27)(H2,21,23,24)