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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O5/c17-16-20-14-13(15(27)21-16)19-7-22(14)4-3-12(26)18-6-11(25)8-1-2-9(23)10(24)5-8/h1-2,5,7,11,23-25H,3-4,6H2,(H,18,26)(H3,17,20,21,27)