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

Systemtic Name: 2-[[5-(cyanomethyl)-9-oxidanylidene-6-phenyl-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[5-(cyanomethyl)-9-oxo-6-phenyl-imidazo[1,2-a]purin-3-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[5-(cyanomethyl)-9-oxo-6-phenyl-3-imidazo[1,2-a]purinyl]methoxy]ethyl ester IUPAC Name: 2-[[5-(cyanomethyl)-9-oxo-6-phenylimidazo[1,2-a]purin-3-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[5-(cyanomethyl)-9-keto-6-phenyl-imidazo[1,2-a]purin-3-yl]methoxy]ethyl ester Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1N=C3N(C2=O)C=C(N3CC#N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1N=C3N(C2=O)C=C(N3CC#N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O4/c1-14(27)30-10-9-29-13-24-12-22-17-18(24)23-20-25(8-7-21)16(11-26(20)19(17)28)15-5-3-2-4-6-15/h2-6,11-12H,8-10,13H2,1H3