N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-ethyl-5-methyl-N-(2-methylallyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-ethyl-5-methyl-N-(2-methylallyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCCCC3)C

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCCCC3)C

InChI

InChI=1S/C21H31N5OS/c1-5-26(13-15(2)3)21(27)18-16(4)17-19(23-14-24-20(17)28-18)22-9-12-25-10-7-6-8-11-25/h14H,2,5-13H2,1,3-4H3,(H,22,23,24)/p+1