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

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-N-(2-hydroxyethyl)-N-methyl-3-(6-oxidanylidene-3H-purin-9-yl)propanamide Openeye Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-N-methyl-3-(6-oxo-3H-purin-9-yl)propanamide CAS Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-N-methyl-3-(6-oxo-3H-purin-9-yl)propanamide IUPAC Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-N-methyl-3-(6-oxo-3H-purin-9-yl)propanamide Traditional Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-3-(6-keto-3H-purin-9-yl)-N-methyl-propionamide Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)C(CN1C=NC2=C1NC=NC2=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CN(CCO)C(=O)C(CN1C=NC2=C1NC=NC2=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H19N5O5/c1-21(4-5-23)17(27)11(10-2-3-12(24)13(25)6-10)7-22-9-20-14-15(22)18-8-19-16(14)26/h2-3,6,8-9,11,23-25H,4-5,7H2,1H3,(H,18,19,26)