2-[6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-ethanamide

Systemtic Name: 2-[6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-ethanamide Openeye Name: 2-[6-(4-ethylpiperazin-4-ium-1-carbonyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-acetamide CAS Name: 2-[6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-propylacetamide IUPAC Name: 2-[6-(4-ethylpiperazin-4-ium-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide Traditional Name: 2-[6-(4-ethylpiperazin-4-ium-1-carbonyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-acetamide Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH+](CC3)CC)C

Isomeric SMILES

CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH+](CC3)CC)C

InChI

InChI=1S/C19H27N5O3S/c1-4-6-20-14(25)11-24-12-21-17-15(18(24)26)13(3)16(28-17)19(27)23-9-7-22(5-2)8-10-23/h12H,4-11H2,1-3H3,(H,20,25)/p+1