3-butyl-8-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-7-ethyl-xanthine Formula: C18H26N8O2S MolecularWeight: 418.51644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4CCCC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4CCCC4)CC

InChI

InChI=1S/C18H26N8O2S/c1-3-5-10-25-15-14(16(27)20-17(25)28)24(4-2)13(19-15)11-29-18-21-22-23-26(18)12-8-6-7-9-12/h12H,3-11H2,1-2H3,(H,20,27,28)