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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22ClN4OS+ MolecularWeight: 437.96498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C5=CC=CC=C5

InChI

InChI=1S/C23H21ClN4OS/c24-17-8-6-16(7-9-17)19-15-30-23-21(19)22(29)25-20(26-23)14-27-10-12-28(13-11-27)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,25,26,29)/p+1