6-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 6-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 6-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 6-(4-chlorophenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 6-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 6-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

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