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

Systemtic Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-1,2-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Openeye Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-1,2-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one CAS Name: 5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-1,2-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one IUPAC Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-1,2-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Traditional Name: 5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-1,2-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Formula: C22H32N7O4S+ MolecularWeight: 490.59898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=[N+](N1C)C)C(=O)N=C(N2)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC

Isomeric SMILES

CCC1=C2C(=[N+](N1C)C)C(=O)N=C(N2)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC

InChI

InChI=1S/C22H31N7O4S/c1-6-17-18-19(27(5)26(17)4)21(30)25-20(24-18)16-13-15(14-23-22(16)33-8-3)34(31,32)29-11-9-28(7-2)10-12-29/h13-14H,6-12H2,1-5H3/p+1