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

Systemtic Name: N-(furan-2-ylmethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-furylmethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-furanylmethyl)-5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-furfuryl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)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)NCC[NH+]3CCCCC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCC4=CC=CO4

InChI

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