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

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-N-(2-hydroxyethyl)-3-(6-oxidanylidene-3H-purin-9-yl)propanamide Openeye Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-3-(6-oxo-3H-purin-9-yl)propanamide CAS Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-3-(6-oxo-3H-purin-9-yl)propanamide IUPAC Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-3-(6-oxo-3H-purin-9-yl)propanamide Traditional Name: 2-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)-3-(6-keto-3H-purin-9-yl)propionamide Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CN2C=NC3=C2NC=NC3=O)C(=O)NCCO)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(CN2C=NC3=C2NC=NC3=O)C(=O)NCCO)O)O

InChI

InChI=1S/C16H17N5O5/c22-4-3-17-15(25)10(9-1-2-11(23)12(24)5-9)6-21-8-20-13-14(21)18-7-19-16(13)26/h1-2,5,7-8,10,22-24H,3-4,6H2,(H,17,25)(H,18,19,26)