5-(4-fluorophenyl)-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H23FN3OS+ MolecularWeight: 408.511623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN3OS/c1-3-15(4-2)16-9-11-27(12-10-16)13-20-25-22(28)21-19(14-29-23(21)26-20)17-5-7-18(24)8-6-17/h5-12,14-15H,3-4,13H2,1-2H3/p+1