4-imidazol-1-yl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-imidazol-1-yl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-imidazol-1-yl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1-imidazolyl)-5-phenyl-2-(1-piperidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-imidazol-1-yl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-imidazol-1-yl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C21H22N5S+ MolecularWeight: 376.49788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5C=CN=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5C=CN=C5

InChI

InChI=1S/C21H21N5S/c1-3-7-16(8-4-1)17-14-27-21-19(17)20(26-12-9-22-15-26)23-18(24-21)13-25-10-5-2-6-11-25/h1,3-4,7-9,12,14-15H,2,5-6,10-11,13H2/p+1