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

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetic acid Formula: C19H23N5O5 MolecularWeight: 401.41642

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5/c1-3-4-7-29-18-22-16(20)15-17(23-18)24(19(27)21-15)10-12-8-11(9-14(25)26)5-6-13(12)28-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,21,27)(H,25,26)(H2,20,22,23)