3-(2-morpholin-4-ium-4-ylethyl)-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S2/c23-18-16-13-15(12-14-4-2-1-3-5-14)26-17(16)20-19(25)22(18)7-6-21-8-10-24-11-9-21/h1-5,13H,6-12H2,(H,20,25)/p+1