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

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H18N3O2S2+ MolecularWeight: 348.46302

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C16H17N3O2S2/c20-15-14-13(11-3-1-2-4-12(11)23-14)17-16(22)19(15)6-5-18-7-9-21-10-8-18/h1-4H,5-10H2,(H,17,22)/p+1