1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-piperazino-xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C20H26N6O4/c1-23-17-16(18(28)24(2)20(23)29)26(19(22-17)25-10-8-21-9-11-25)12-14(27)13-30-15-6-4-3-5-7-15/h3-7,14,21,27H,8-13H2,1-2H3/t14-/m1/s1