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

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-3-(6-oxidanylidene-3H-purin-9-yl)propanamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-3-(6-oxo-3H-purin-9-yl)propanamide CAS Name: N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(6-oxo-3H-purin-9-yl)propanamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(6-oxo-3H-purin-9-yl)propanamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-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(CNC(=O)CCN2C=NC3=C2NC=NC3=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(CNC(=O)CCN2C=NC3=C2NC=NC3=O)O)O)O

InChI

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