2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-N-methyl-ethanamide Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-N-methyl-acetamide CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylacetamide IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylacetamide Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-N-methyl-acetamide Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC(=C(C=C1)O)O)O)C(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CN(CC(C1=CC(=C(C=C1)O)O)O)C(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H18N6O5/c1-21(5-11(25)8-2-3-9(23)10(24)4-8)12(26)6-22-7-18-13-14(22)19-16(17)20-15(13)27/h2-4,7,11,23-25H,5-6H2,1H3,(H3,17,19,20,27)