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

Systemtic Name: 2-[4-[(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[4-[(6-amino-2-butoxy-8-methoxy-9-purinyl)methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[4-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]phenyl]acetic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-3-4-9-28-18-22-16(20)15-17(23-18)24(19(21-15)27-2)11-13-7-5-12(6-8-13)10-14(25)26/h5-8H,3-4,9-11H2,1-2H3,(H,25,26)(H2,20,22,23)