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

Systemtic Name: 3-butyl-7-ethyl-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(2-thienyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(2-thienyl)xanthine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CC

InChI

InChI=1S/C15H18N4O2S/c1-3-5-8-19-13-11(14(20)17-15(19)21)18(4-2)12(16-13)10-7-6-9-22-10/h6-7,9H,3-5,8H2,1-2H3,(H,17,20,21)