2-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-2-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]ethanamide

Systemtic Name: 2-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-2-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]ethanamide Openeye Name: 2-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-2-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide CAS Name: 2-[5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-2-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide IUPAC Name: 2-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-2-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide Traditional Name: 2-[5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-7-keto-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide Formula: C21H29N8O5S+ MolecularWeight: 505.57056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=N[N+](C=C4N3)(C)CC(=O)N)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=N[N+](C=C4N3)(C)CC(=O)N)OCC

InChI

InChI=1S/C21H28N8O5S/c1-4-27-6-8-28(9-7-27)35(32,33)14-10-15(21(23-11-14)34-5-2)19-24-16-12-29(3,13-17(22)30)26-18(16)20(31)25-19/h10-12H,4-9,13H2,1-3H3,(H2-,22,24,25,30,31)/p+1