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

Systemtic Name: 5-(4-chlorophenyl)-2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[(5-ethyl-2-methyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(5-ethyl-2-methylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19ClN3OS+ MolecularWeight: 396.91306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3OS/c1-3-14-5-4-13(2)25(10-14)11-18-23-20(26)19-17(12-27-21(19)24-18)15-6-8-16(22)9-7-15/h4-10,12H,3,11H2,1-2H3/p+1