7-[2,3-bis(oxidanyl)propyl]-1-(2-diethylaminoethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1-(2-diethylaminoethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-(2-diethylaminoethyl)-7-(2,3-dihydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 1-(2-diethylaminoethyl)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(2-diethylaminoethyl)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 1-(2-diethylaminoethyl)-7-glyceryl-3-methyl-xanthine Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(N=CN2CC(CO)O)N(C1=O)C

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(N=CN2CC(CO)O)N(C1=O)C

InChI

InChI=1S/C15H25N5O4/c1-4-18(5-2)6-7-20-14(23)12-13(17(3)15(20)24)16-10-19(12)8-11(22)9-21/h10-11,21-22H,4-9H2,1-3H3