2-cyclopropyl-4,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-cyclopropyl-4,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-cyclopropyl-4,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-cyclopropyl-4,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCC4=CC=C(C=C4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCC4=CC=C(C=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C25H30N4OS/c1-16-21-17(2)27-23(20-10-11-20)28-25(21)31-22(16)24(30)26-14-18-6-8-19(9-7-18)15-29-12-4-3-5-13-29/h6-9,20H,3-5,10-15H2,1-2H3,(H,26,30)/p+1