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

Systemtic Name: 2-[3-[[2-(3-acetamidopropoxy)-6-azanyl-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CC(=O)NCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C19H22N6O5/c1-11(26)21-6-3-7-30-18-23-16(20)15-17(24-18)25(19(29)22-15)10-13-5-2-4-12(8-13)9-14(27)28/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,21,26)(H,22,29)(H,27,28)(H2,20,23,24)