3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C21H23N5O3S2/c1-2-26-18-7-6-15(31(28,29)25-9-4-3-5-10-25)12-17(18)23-19(26)13-24-14-22-20-16(21(24)27)8-11-30-20/h6-8,11-12,14H,2-5,9-10,13H2,1H3