1,3,7-trimethyl-8-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[1-[2-oxo-2-(1-piperidyl)ethyl]benzimidazol-2-yl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-2-benzimidazolyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylpurine-2,6-dione Traditional Name: 8-[[1-(2-keto-2-piperidino-ethyl)benzimidazol-2-yl]thio]-1,3,7-trimethyl-xanthine Formula: C22H25N7O3S MolecularWeight: 467.544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)N5CCCCC5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)N5CCCCC5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H25N7O3S/c1-25-17-18(26(2)22(32)27(3)19(17)31)24-20(25)33-21-23-14-9-5-6-10-15(14)29(21)13-16(30)28-11-7-4-8-12-28/h5-6,9-10H,4,7-8,11-13H2,1-3H3