6-pyridin-3-yl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-pyridin-3-yl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(3-pyridyl)-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(3-pyridinyl)-2-[2-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-pyridin-3-yl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-pyridyl)-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N4OS/c25-19-12-18(15-5-3-7-21-13-15)22-20(23-19)17-6-2-1-4-16(17)14-24-8-10-26-11-9-24/h1-7,12-13H,8-11,14H2,(H,22,23,25)/p+1