2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-1-ium-2-ylmethyl)ethanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-1-ium-2-ylmethyl)ethanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-1-ium-2-ylmethyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-1-ium-2-ylmethyl)acetamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(pyridin-1-ium-2-ylmethyl)acetamide Formula: C16H17N4O2S2+ MolecularWeight: 361.46178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CC=[NH+]3)C

InChI

InChI=1S/C16H16N4O2S2/c1-9-10(2)24-15-13(9)14(22)19-16(20-15)23-8-12(21)18-7-11-5-3-4-6-17-11/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)/p+1