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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H23N4O2S2+ MolecularWeight: 451.58432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C23H22N4O2S2/c28-20(26-10-8-25(9-11-26)13-17-5-2-1-3-6-17)14-27-16-24-22-21(23(27)29)18(15-31-22)19-7-4-12-30-19/h1-7,12,15-16H,8-11,13-14H2/p+1