N-methyl-2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyridin-1-ium-2-ylethyl)ethanamide

Systemtic Name: N-methyl-2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyridin-1-ium-2-ylethyl)ethanamide Openeye Name: N-methyl-2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyridin-1-ium-2-ylethyl)acetamide CAS Name: N-methyl-2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-N-[2-(2-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: N-methyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-pyridin-1-ium-2-ylethyl)acetamide Traditional Name: 2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)acetamide Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=[NH+]1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=[NH+]1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-25(12-10-17-9-5-6-11-23-17)19(27)13-26-15-24-21-20(22(26)28)18(14-29-21)16-7-3-2-4-8-16/h2-9,11,14-15H,10,12-13H2,1H3/p+1