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

Systemtic Name: 2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-ethyl-2-methyl-1-pyridin-1-iumyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-ethyl-2-methylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H19N3OS/c1-3-15-10-9-14(2)24(11-15)12-18-22-20(25)19-17(13-26-21(19)23-18)16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3/p+1