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

Systemtic Name: N,N-diethyl-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N,N-diethyl-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N,N-diethyl-5-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N,N-diethyl-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N,N-diethyl-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2S/c1-4-23(5-2)18(24)15-13(3)14-16(20-12-21-17(14)26-15)19-6-7-22-8-10-25-11-9-22/h12H,4-11H2,1-3H3,(H,19,20,21)/p+1