4-(5,6-dimethylbenzimidazol-1-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(5,6-dimethylbenzimidazol-1-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(5,6-dimethylbenzimidazol-1-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(5,6-dimethyl-1-benzimidazolyl)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(5,6-dimethylbenzimidazol-1-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(5,6-dimethylbenzimidazol-1-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C22H26N5S+ MolecularWeight: 392.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

InChI

InChI=1S/C22H25N5S/c1-13-9-17-18(10-14(13)2)27(12-23-17)21-20-15(3)16(4)28-22(20)25-19(24-21)11-26-7-5-6-8-26/h9-10,12H,5-8,11H2,1-4H3/p+1