2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H25N4O2S2+ MolecularWeight: 381.536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C17H24N4O2S2/c1-12-13(2)25-17-15(12)16(19-11-20-17)24-10-14(22)18-4-3-5-21-6-8-23-9-7-21/h11H,3-10H2,1-2H3,(H,18,22)/p+1