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

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S2/c24-19-17-14-16(13-15-5-2-1-3-6-15)27-18(17)21-20(26)23(19)8-4-7-22-9-11-25-12-10-22/h1-3,5-6,14H,4,7-13H2,(H,21,26)/p+1