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

Systemtic Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[(2S)-2-oxidanylbutyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H30N5O3S+ MolecularWeight: 408.5382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3S/c1-3-14(25)11-21-18(26)16-13(2)15-17(22-12-23-19(15)28-16)20-5-4-6-24-7-9-27-10-8-24/h12,14,25H,3-11H2,1-2H3,(H,21,26)(H,20,22,23)/p+1/t14-/m0/s1