7-[2-[[3,4-bis(oxidanyl)phenyl]-ethyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[3,4-bis(oxidanyl)phenyl]-ethyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(N-ethyl-3,4-dihydroxy-anilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(N-ethyl-3,4-dihydroxyanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(N-ethyl-3,4-dihydroxyanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(N-ethyl-3,4-dihydroxy-anilino)ethyl]-1,3-dimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCN(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H21N5O4/c1-4-21(11-5-6-12(23)13(24)9-11)7-8-22-10-18-15-14(22)16(25)20(3)17(26)19(15)2/h5-6,9-10,23-24H,4,7-8H2,1-3H3