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

Systemtic Name: 3-butyl-8-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-7-methyl-xanthine Formula: C15H20N8O2S MolecularWeight: 376.4367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N8O2S/c1-3-4-7-22-12-11(13(24)17-14(22)25)21(2)10(16-12)8-26-15-18-19-20-23(15)9-5-6-9/h9H,3-8H2,1-2H3,(H,17,24,25)