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

Systemtic Name: 5-methyl-N-[(2S)-2-oxidanylbutyl]-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H30N5O2S+ MolecularWeight: 392.5388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O2S/c1-3-14(25)11-21-18(26)16-13(2)15-17(22-12-23-19(15)27-16)20-7-10-24-8-5-4-6-9-24/h12,14,25H,3-11H2,1-2H3,(H,21,26)(H,20,22,23)/p+1/t14-/m0/s1