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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C19H21N4O2S2+ MolecularWeight: 401.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=C[NH+]=CC=C3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=C[NH+]=CC=C3)CC=C)C

InChI

InChI=1S/C19H20N4O2S2/c1-4-8-23-18(25)16-12(2)13(3)27-17(16)22-19(23)26-11-15(24)21-10-14-6-5-7-20-9-14/h4-7,9H,1,8,10-11H2,2-3H3,(H,21,24)/p+1