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

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

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

Isomeric SMILES

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

InChI

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