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

Systemtic Name: N-ethyl-N-(2-hydroxyethyl)-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-ethyl-N-(2-hydroxyethyl)-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-ethyl-N-(2-hydroxyethyl)-5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-ethyl-N-(2-hydroxyethyl)-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-ethyl-N-(2-hydroxyethyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3S/c1-3-24(7-10-25)19(26)16-14(2)15-17(21-13-22-18(15)28-16)20-5-4-6-23-8-11-27-12-9-23/h13,25H,3-12H2,1-2H3,(H,20,21,22)/p+1