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

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]methyl]phenyl]acetate Formula: C20H25N6O4- MolecularWeight: 413.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNCC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNCC3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C20H26N6O4/c1-2-3-9-30-19-24-17(21)16-18(25-19)26(20(29)23-16)8-7-22-12-14-6-4-5-13(10-14)11-15(27)28/h4-6,10,22H,2-3,7-9,11-12H2,1H3,(H,23,29)(H,27,28)(H2,21,24,25)/p-1