8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethyl-xanthine Formula: C16H28N6O3 MolecularWeight: 352.43192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C[C@H](C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H28N6O3/c1-6-21(7-2)9-8-17-15-18-13-12(22(15)10-11(3)23)14(24)20(5)16(25)19(13)4/h11,23H,6-10H2,1-5H3,(H,17,18)/t11-/m0/s1