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

Systemtic Name: 5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-N-[(2S)-2-oxidanylbutyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCOCC3)C)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCOCC3)C)O

InChI

InChI=1S/C18H27N5O3S/c1-3-13(24)10-20-17(25)15-12(2)14-16(21-11-22-18(14)27-15)19-4-5-23-6-8-26-9-7-23/h11,13,24H,3-10H2,1-2H3,(H,20,25)(H,19,21,22)/p+1/t13-/m0/s1