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

Systemtic Name: methyl 2-[3-[3-[6-azanyl-2-(2-methoxyethylamino)-8-oxidanylidene-7H-purin-9-yl]propyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[3-[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]propyl]phenyl]acetate CAS Name: 2-[3-[3-[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]propyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]propyl]phenyl]acetate Traditional Name: 2-[3-[3-[6-amino-8-keto-2-(2-methoxyethylamino)-7H-purin-9-yl]propyl]phenyl]acetic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H26N6O4/c1-29-10-8-22-19-24-17(21)16-18(25-19)26(20(28)23-16)9-4-7-13-5-3-6-14(11-13)12-15(27)30-2/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,23,28)(H3,21,22,24,25)