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

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[(1-phenyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-[[(1-phenyl-5-tetrazolyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(1-phenyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[(1-phenyltetrazol-5-yl)thio]methyl]xanthine Formula: C24H24N8O2S MolecularWeight: 488.56476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H24N8O2S/c1-2-3-14-30-19(16-35-24-27-28-29-32(24)18-12-8-5-9-13-18)25-21-20(30)22(33)26-23(34)31(21)15-17-10-6-4-7-11-17/h4-13H,2-3,14-16H2,1H3,(H,26,33,34)