3-(2-hydroxyethyloxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one

Systemtic Name: 3-(2-hydroxyethyloxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one Openeye Name: 3-(2-hydroxyethoxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one CAS Name: 3-(2-hydroxyethoxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one IUPAC Name: 3-(2-hydroxyethoxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one Traditional Name: 3-(2-hydroxyethoxymethyl)-6-(4-nitrophenyl)-5H-imidazo[1,2-a]purin-9-one Formula: C16H14N6O5 MolecularWeight: 370.31956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O5/c23-5-6-27-9-20-8-17-13-14(20)19-16-18-12(7-21(16)15(13)24)10-1-3-11(4-2-10)22(25)26/h1-4,7-8,23H,5-6,9H2,(H,18,19)