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

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-2-oxo-acetic acid CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-2-oxoacetic acid IUPAC Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-2-oxoacetic acid Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]-2-keto-acetic acid Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O5/c1-2-3-7-28-17-21-14(19)12-15(22-17)23(18(27)20-12)9-10-5-4-6-11(8-10)13(24)16(25)26/h4-6,8H,2-3,7,9H2,1H3,(H,20,27)(H,25,26)(H2,19,21,22)