3-butyl-7-ethyl-8-naphthalen-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-naphthalen-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(2-naphthyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(2-naphthalenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-naphthalen-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(2-naphthyl)xanthine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC

InChI

InChI=1S/C21H22N4O2/c1-3-5-12-25-19-17(20(26)23-21(25)27)24(4-2)18(22-19)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13H,3-5,12H2,1-2H3,(H,23,26,27)