2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-6-phenyl-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-6-phenyl-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-6-phenyl-2-thieno[3,2-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-2-yl]thio]acetonitrile Formula: C20H21N4O2S2+ MolecularWeight: 413.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC#N

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC#N

InChI

InChI=1S/C20H20N4O2S2/c21-6-13-27-20-22-16-14-17(15-4-2-1-3-5-15)28-18(16)19(25)24(20)8-7-23-9-11-26-12-10-23/h1-5,14H,7-13H2/p+1