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

Systemtic Name: N-(cyclopropylmethyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-N-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(cyclopropylmethyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-N-propyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(cyclopropylmethyl)-5-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-N-propyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(cyclopropylmethyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(cyclopropylmethyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-N-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CCCN(CC1CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H31N5O2S/c1-3-7-26(13-16-4-5-16)21(27)18-15(2)17-19(23-14-24-20(17)29-18)22-6-8-25-9-11-28-12-10-25/h14,16H,3-13H2,1-2H3,(H,22,23,24)/p+1