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

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-isopropoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-isopropoxypropylamino)-1,3-dimethyl-xanthine Formula: C22H31N5O5 MolecularWeight: 445.51204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H31N5O5/c1-15(2)31-12-8-11-23-21-24-19-18(20(29)26(4)22(30)25(19)3)27(21)13-16(28)14-32-17-9-6-5-7-10-17/h5-7,9-10,15-16,28H,8,11-14H2,1-4H3,(H,23,24)/t16-/m1/s1