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

Systemtic Name: 5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[[(2R)-2-oxolanyl]methylamino]-N-[2-(1-piperidin-1-iumyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]-N-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3CCCO3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC[C@H]3CCCO3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C20H29N5O2S/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/h13,15H,2-12H2,1H3,(H,21,26)(H,22,23,24)/p+1/t15-/m1/s1