6-(2,5-dimethylfuran-3-yl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2,5-dimethyl-3-furyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2,5-dimethyl-3-furanyl)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2,5-dimethyl-3-furyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCSCC4

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCSCC4

InChI

InChI=1S/C21H23N3O2S/c1-14-10-18(15(2)26-14)19-12-20(25)23-21(22-19)17-5-3-4-16(11-17)13-24-6-8-27-9-7-24/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,23,25)/p+1