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

Systemtic Name: 3-butyl-8-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-7-ethyl-xanthine Formula: C16H22N8O2S MolecularWeight: 390.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4CC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4CC4)CC

InChI

InChI=1S/C16H22N8O2S/c1-3-5-8-23-13-12(14(25)18-15(23)26)22(4-2)11(17-13)9-27-16-19-20-21-24(16)10-6-7-10/h10H,3-9H2,1-2H3,(H,18,25,26)