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

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

Isomeric SMILES

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

InChI

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