8-(1H-benzimidazol-2-ylsulfanylmethyl)-7-butyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-7-butyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-benzyl-7-butyl-purine-2,6-dione CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-benzyl-7-butylpurine-2,6-dione Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-3-benzyl-7-butyl-xanthine Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H24N6O2S/c1-2-3-13-29-19(15-33-23-25-17-11-7-8-12-18(17)26-23)27-21-20(29)22(31)28-24(32)30(21)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,25,26)(H,28,31,32)