2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCC(CC4)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCC(CC4)C(=O)N)C)C

InChI

InChI=1S/C23H27N5O3S/c1-12-4-5-16(13(2)10-12)25-22(31)19-14(3)18-21(30)26-17(27-23(18)32-19)11-28-8-6-15(7-9-28)20(24)29/h4-5,10,15H,6-9,11H2,1-3H3,(H2,24,29)(H,25,31)(H,26,27,30)/p+1