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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC[NH+]3CCOCC3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC[NH+]3CCOCC3)CC=C)C

InChI

InChI=1S/C19H26N4O3S2/c1-4-6-23-18(25)16-13(2)14(3)28-17(16)21-19(23)27-12-15(24)20-5-7-22-8-10-26-11-9-22/h4H,1,5-12H2,2-3H3,(H,20,24)/p+1