4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C21H23N5O2S3 MolecularWeight: 473.63462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C21H23N5O2S3/c1-2-26-18-7-6-15(31(27,28)25-9-4-3-5-10-25)12-17(18)24-19(26)13-30-21-16-8-11-29-20(16)22-14-23-21/h6-8,11-12,14H,2-5,9-10,13H2,1H3