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

Systemtic Name: 2-[3-[(6-azanyl-8-oxidanylidene-2-pentoxy-7H-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-8-oxo-2-pentoxy-7H-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-8-oxo-2-pentoxy-7H-purin-9-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-8-oxo-2-pentoxy-7H-purin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-amoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

InChI

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