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

Systemtic Name: methyl 2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]phenyl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H26N6O4/c1-3-4-10-30-19-24-17(21)16-18(25-19)26(20(28)23-16)9-8-22-14-7-5-6-13(11-14)12-15(27)29-2/h5-7,11,22H,3-4,8-10,12H2,1-2H3,(H,23,28)(H2,21,24,25)