1,3-dimethyl-7-(3-naphthalen-2-yloxypropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-naphthalen-2-yloxypropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(2-naphthyloxy)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(2-naphthalenyloxy)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-naphthalen-2-yloxypropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(2-naphthoxy)propyl]xanthine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N4O3/c1-22-18-17(19(25)23(2)20(22)26)24(13-21-18)10-5-11-27-16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3