1,3-dimethyl-7-(4-naphthalen-2-yloxybutyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(4-naphthalen-2-yloxybutyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(2-naphthyloxy)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-(2-naphthalenyloxy)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(4-naphthalen-2-yloxybutyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-(2-naphthoxy)butyl]xanthine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N4O3/c1-23-19-18(20(26)24(2)21(23)27)25(14-22-19)11-5-6-12-28-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3