2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c29-24-23-20(11-16-30-23)25-21(26-24)17-27-12-14-28(15-13-27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,16,22H,12-15,17H2,(H,25,26,29)/p+1