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

Systemtic Name: 7-butyl-8-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 7-butyl-8-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]xanthine Formula: C23H28N8O2S MolecularWeight: 480.58582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=NN4C5CCCC5

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=NN4C5CCCC5

InChI

InChI=1S/C23H28N8O2S/c1-2-3-13-29-18(15-34-23-26-27-28-31(23)17-11-7-8-12-17)24-20-19(29)21(32)25-22(33)30(20)14-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,25,32,33)