5-methyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-N-(p-tolylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-N-(4-methylbenzyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H26N4O2S/c1-14-6-8-16(9-7-14)12-23-21(28)19-15(2)18-20(27)24-17(25-22(18)29-19)13-26-10-4-3-5-11-26/h6-9H,3-5,10-13H2,1-2H3,(H,23,28)(H,24,25,27)/p+1