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

Systemtic Name: 4-(furan-2-ylmethylamino)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(2-furylmethylamino)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(2-furanylmethylamino)-5-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(furan-2-ylmethylamino)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(2-furfurylamino)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C20H25N5O2S/c1-14-16-18(22-12-15-6-5-11-27-15)23-13-24-20(16)28-17(14)19(26)21-7-10-25-8-3-2-4-9-25/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,21,26)(H,22,23,24)/p+1