3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C15H25N5O5 MolecularWeight: 355.3895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H25N5O5/c1-9(2)25-8-10(22)7-20-11-12(17-14(20)16-5-4-6-21)19(3)15(24)18-13(11)23/h9-10,21-22H,4-8H2,1-3H3,(H,16,17)(H,18,23,24)/t10-/m0/s1