7-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C22H27N7O4S MolecularWeight: 485.55928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C22H27N7O4S/c1-4-29-17-9-8-15(34(32,33)28-10-6-5-7-11-28)12-16(17)24-18(29)13-27-14-23-20-19(27)21(30)26(3)22(31)25(20)2/h8-9,12,14H,4-7,10-11,13H2,1-3H3