1,3-dimethyl-7-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]purine-2,6-dione Openeye Name: 7-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C19H25N5O4/c1-22-17-16(18(26)23(2)19(22)27)24(13-21-17)10-6-9-20-11-14(25)12-28-15-7-4-3-5-8-15/h3-5,7-8,13-14,20,25H,6,9-12H2,1-2H3