2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[6-methyl-4-oxo-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-3-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[6-methyl-4-oxo-5-(1-piperidinylsulfonyl)-3-thieno[2,3-d]pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(4-keto-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C20H30N5O5S2+ MolecularWeight: 484.6127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC[NH+]3CCOCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC[NH+]3CCOCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H29N5O5S2/c1-15-18(32(28,29)25-6-3-2-4-7-25)17-19(31-15)22-14-24(20(17)27)13-16(26)21-5-8-23-9-11-30-12-10-23/h14H,2-13H2,1H3,(H,21,26)/p+1