2-[[6-(4-aminophenyl)-9-oxidanylidene-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[6-(4-aminophenyl)-9-oxidanylidene-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[6-(4-aminophenyl)-9-oxo-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[6-(4-aminophenyl)-9-oxo-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ester IUPAC Name: 2-[[6-(4-aminophenyl)-9-oxo-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[6-(4-aminophenyl)-9-keto-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1N=C3NC(=CN3C2=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1N=C3NC(=CN3C2=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C18H18N6O4/c1-11(25)28-7-6-27-10-23-9-20-15-16(23)22-18-21-14(8-24(18)17(15)26)12-2-4-13(19)5-3-12/h2-5,8-9H,6-7,10,19H2,1H3,(H,21,22)