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

Systemtic Name: 3-butyl-8-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-methyl-5-tetrazolyl)thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-methyltetrazol-5-yl)thio]methyl]-7-propyl-xanthine Formula: C15H22N8O2S MolecularWeight: 378.45258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C)CCC

InChI

InChI=1S/C15H22N8O2S/c1-4-6-8-23-12-11(13(24)17-14(23)25)22(7-5-2)10(16-12)9-26-15-18-19-20-21(15)3/h4-9H2,1-3H3,(H,17,24,25)