8-(ethylamino)-1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-(ethylamino)-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[2-hydroxy-3-(2-naphthoxy)propyl]-1,3-dimethyl-xanthine Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H25N5O4/c1-4-23-21-24-19-18(20(29)26(3)22(30)25(19)2)27(21)12-16(28)13-31-17-10-9-14-7-5-6-8-15(14)11-17/h5-11,16,28H,4,12-13H2,1-3H3,(H,23,24)