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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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