1,3-dimethyl-7-(5-naphthalen-2-yloxypentyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(5-naphthalen-2-yloxypentyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[5-(2-naphthyloxy)pentyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[5-(2-naphthalenyloxy)pentyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(5-naphthalen-2-yloxypentyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[5-(2-naphthoxy)pentyl]xanthine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCOC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCOC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N4O3/c1-24-20-19(21(27)25(2)22(24)28)26(15-23-20)12-6-3-7-13-29-18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3