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

Systemtic Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-(1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H20N3OS2+ MolecularWeight: 310.4581

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C14H19N3OS2/c18-13-12-11(5-10-20-12)15-14(19)17(13)9-4-8-16-6-2-1-3-7-16/h5,10H,1-4,6-9H2,(H,15,19)/p+1