4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(o-veratrylamino)-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H32N5O3S+ MolecularWeight: 470.60758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=C(C(=CC=C3)OC)OC)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=C(C(=CC=C3)OC)OC)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C24H31N5O3S/c1-16-19-22(26-14-17-8-7-9-18(31-2)20(17)32-3)27-15-28-24(19)33-21(16)23(30)25-10-13-29-11-5-4-6-12-29/h7-9,15H,4-6,10-14H2,1-3H3,(H,25,30)(H,26,27,28)/p+1