5-[2-ethoxy-5-(4-ethyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-(4-ethyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-ethyl-4-oxido-1-piperazin-4-iumyl)sulfonyl]-3-pyridinyl]-3-ethyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H32N8O5S MolecularWeight: 568.64788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

Isomeric SMILES

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

InChI

InChI=1S/C26H32N8O5S/c1-4-21-22-23(31-33(21)17-18-9-7-8-10-27-18)25(35)30-24(29-22)20-15-19(16-28-26(20)39-6-3)40(37,38)32-11-13-34(36,5-2)14-12-32/h7-10,15-16H,4-6,11-14,17H2,1-3H3,(H,29,30,35)