1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-piperidino-xanthine Formula: C21H27N5O4 MolecularWeight: 413.47018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C21H27N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-11-7-4-8-12-25)13-15(27)14-30-16-9-5-3-6-10-16/h3,5-6,9-10,15,27H,4,7-8,11-14H2,1-2H3