2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylcarbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylcarbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetic acid Formula: C22H29N7O5 MolecularWeight: 471.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNC(=O)NC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNC(=O)NC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C22H29N7O5/c1-2-3-11-34-21-27-18(23)17-19(28-21)29(22(33)26-17)10-5-4-9-24-20(32)25-15-8-6-7-14(12-15)13-16(30)31/h6-8,12H,2-5,9-11,13H2,1H3,(H,26,33)(H,30,31)(H2,23,27,28)(H2,24,25,32)