2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N4OS2+ MolecularWeight: 423.57422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N4OS2/c27-21-20-17(18-7-4-12-28-18)15-29-22(20)24-19(23-21)14-26-10-8-25(9-11-26)13-16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2,(H,23,24,27)/p+1