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

Systemtic Name: N-butyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H30N5OS+ MolecularWeight: 376.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5OS/c1-3-4-8-21-18(25)16-14(2)15-17(22-13-23-19(15)26-16)20-9-12-24-10-6-5-7-11-24/h13H,3-12H2,1-2H3,(H,21,25)(H,20,22,23)/p+1