2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]phenyl]ethanoate

Systemtic Name: 2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]phenyl]ethanoate Openeye Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]phenyl]acetate CAS Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]phenyl]acetate IUPAC Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]phenyl]acetate Traditional Name: 2-[3-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]phenyl]acetate Formula: C19H23N6O4- MolecularWeight: 399.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-2-3-9-29-18-23-16(20)15-17(24-18)25(19(28)22-15)8-7-21-13-6-4-5-12(10-13)11-14(26)27/h4-6,10,21H,2-3,7-9,11H2,1H3,(H,22,28)(H,26,27)(H2,20,23,24)/p-1