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

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H20N3O2S2+ MolecularWeight: 362.4896

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C17H19N3O2S2/c21-16-15-14(12-4-1-2-5-13(12)24-15)18-17(23)20(16)7-3-6-19-8-10-22-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,23)/p+1