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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[(4-ethyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17ClN3OS+ MolecularWeight: 382.88648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3OS/c1-2-13-7-9-24(10-8-13)11-17-22-19(25)18-16(12-26-20(18)23-17)14-3-5-15(21)6-4-14/h3-10,12H,2,11H2,1H3/p+1