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

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-(6-oxidanylidene-3H-purin-9-yl)propanamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(6-oxo-3H-purin-9-yl)propanamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(6-oxo-3H-purin-9-yl)propanamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(6-oxo-3H-purin-9-yl)propanamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(6-keto-3H-purin-9-yl)propionamide Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC(=O)CCN2C=NC3=C2NC=NC3=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNC(=O)CCN2C=NC3=C2NC=NC3=O)O)O

InChI

InChI=1S/C16H17N5O4/c22-11-2-1-10(7-12(11)23)3-5-17-13(24)4-6-21-9-20-14-15(21)18-8-19-16(14)25/h1-2,7-9,22-23H,3-6H2,(H,17,24)(H,18,19,25)