8-[2-(2-hydroxyethyloxy)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(2-hydroxyethyloxy)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOCCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOCCO)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O4/c1-25-19-18(20(29)26(2)22(25)30)27(21(24-19)23-10-12-31-13-11-28)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,28H,10-14H2,1-2H3,(H,23,24)