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

Systemtic Name: 3-butyl-8-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-7-methyl-xanthine Formula: C17H24N8O2S MolecularWeight: 404.48986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N8O2S/c1-3-4-9-24-14-13(15(26)19-16(24)27)23(2)12(18-14)10-28-17-20-21-22-25(17)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,19,26,27)