2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,3-dimethyl-1-pyridin-1-iumyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C20H17N3OS/c1-13-7-6-10-23(14(13)2)11-17-21-19(24)18-16(12-25-20(18)22-17)15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3/p+1