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

Systemtic Name: 3-ethyl-5-[5-(4-ethyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridin-3-yl]-2-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-[5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridyl]-2-[(1-oxidopyridin-1-ium-2-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-ethyl-4-oxido-1-piperazin-4-iumyl)sulfonyl]-2-(2-methoxyethoxy)-3-pyridinyl]-2-[(1-oxido-2-pyridin-1-iumyl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridin-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridyl]-2-[(1-oxidopyridin-1-ium-2-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H34N8O7S MolecularWeight: 614.67326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1CC3=CC=CC=[N+]3[O-])C(=O)N=C(N2)C4=CC(=CN=C4OCCOC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

Isomeric SMILES

CCC1=C2C(=NN1CC3=CC=CC=[N+]3[O-])C(=O)N=C(N2)C4=CC(=CN=C4OCCOC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

InChI

InChI=1S/C27H34N8O7S/c1-4-22-23-24(31-33(22)18-19-8-6-7-9-34(19)37)26(36)30-25(29-23)21-16-20(17-28-27(21)42-15-14-41-3)43(39,40)32-10-12-35(38,5-2)13-11-32/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,29,30,36)