8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-xanthine Formula: C11H17N5O4 MolecularWeight: 283.28378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C11H17N5O4/c1-6(18)5-16-7-8(13-10(16)12-3-4-17)15(2)11(20)14-9(7)19/h6,17-18H,3-5H2,1-2H3,(H,12,13)(H,14,19,20)/t6-/m1/s1