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

Systemtic Name: 3-butyl-7-ethyl-8-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(1-phenyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(1-phenyl-5-tetrazolyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(1-phenyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(1-phenyltetrazol-5-yl)thio]methyl]xanthine Formula: C19H22N8O2S MolecularWeight: 426.49538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3C4=CC=CC=C4)CC

InChI

InChI=1S/C19H22N8O2S/c1-3-5-11-26-16-15(17(28)21-18(26)29)25(4-2)14(20-16)12-30-19-22-23-24-27(19)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3,(H,21,28,29)