N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C25H28N5O2S2+ MolecularWeight: 494.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)C

InChI

InChI=1S/C25H27N5O2S2/c1-3-28-8-10-29(11-9-28)18-6-7-20(17(2)13-18)27-22(31)14-30-16-26-24-23(25(30)32)19(15-34-24)21-5-4-12-33-21/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H,27,31)/p+1