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

Systemtic Name: 7-[(2S)-2-chloranylbutyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-chlorobutyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-chlorobutyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-chlorobutyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-chlorobutyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C13H20ClN5O3 MolecularWeight: 329.7826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

CC[C@@H](CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)Cl

InChI

InChI=1S/C13H20ClN5O3/c1-4-8(14)7-19-9-10(16-12(19)15-5-6-20)17(2)13(22)18(3)11(9)21/h8,20H,4-7H2,1-3H3,(H,15,16)/t8-/m0/s1