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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H21ClN5OS+ MolecularWeight: 438.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H20ClN5OS/c23-16-6-4-15(5-7-16)17-14-30-22-20(17)21(29)25-18(26-22)13-27-9-11-28(12-10-27)19-3-1-2-8-24-19/h1-8,14H,9-13H2,(H,25,26,29)/p+1