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

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxypropyl]-3-methyl-xanthine Formula: C15H26N6O3 MolecularWeight: 338.40534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N6O3/c1-5-20(6-2)8-7-16-14-17-12-11(21(14)9-10(3)22)13(23)18-15(24)19(12)4/h10,22H,5-9H2,1-4H3,(H,16,17)(H,18,23,24)/t10-/m0/s1