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

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-N-methyl-propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-N-methyl-propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylpropanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylpropanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-N-methyl-propionamide Formula: C17H20N6O5 MolecularWeight: 388.3779

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O5/c1-22(7-12(26)9-2-3-10(24)11(25)6-9)13(27)4-5-23-8-19-14-15(23)20-17(18)21-16(14)28/h2-3,6,8,12,24-26H,4-5,7H2,1H3,(H3,18,20,21,28)