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

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-1,3-dimethyl-8-(methylamino)xanthine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H23N5O4/c1-22-20-23-18-17(19(28)25(3)21(29)24(18)2)26(20)11-15(27)12-30-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,27H,11-12H2,1-3H3,(H,22,23)