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

Systemtic Name: 2-[3-[(6-azanyl-8-oxidanylidene-2-propoxy-7H-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-8-oxo-2-propoxy-7H-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-8-oxo-2-propoxy-7H-purin-9-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-8-oxo-2-propoxy-7H-purin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-8-keto-2-propoxy-7H-purin-9-yl)methyl]phenyl]acetic acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C17H19N5O4/c1-2-6-26-16-20-14(18)13-15(21-16)22(17(25)19-13)9-11-5-3-4-10(7-11)8-12(23)24/h3-5,7H,2,6,8-9H2,1H3,(H,19,25)(H,23,24)(H2,18,20,21)