diethyl-[2-[2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]ethyl]azanium Openeye Name: diethyl-[2-[[2-[6-methyl-4-oxo-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[2-[6-methyl-4-oxo-5-(1-piperidinylsulfonyl)-3-thieno[2,3-d]pyrimidinyl]-1-oxoethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[2-(4-keto-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]ammonium Formula: C20H32N5O4S2+ MolecularWeight: 470.62918

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N5O4S2/c1-4-23(5-2)12-9-21-16(26)13-24-14-22-19-17(20(24)27)18(15(3)30-19)31(28,29)25-10-7-6-8-11-25/h14H,4-13H2,1-3H3,(H,21,26)/p+1