5-[2-ethoxy-5-(4-ethyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonyl-pyridin-3-yl]-2-methyl-3-propyl-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]-2-methyl-3-propyl-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]-2-methyl-3-propyl-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]-2-methyl-3-propyl-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]-2-methyl-3-propyl-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]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H31N7O5S MolecularWeight: 505.59044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=CC(=CN=C3OCC)S(=O)(=O)N4CC[N+](CC4)(CC)[O-]

Isomeric SMILES

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=CC(=CN=C3OCC)S(=O)(=O)N4CC[N+](CC4)(CC)[O-]

InChI

InChI=1S/C22H31N7O5S/c1-5-8-17-18-19(26-27(17)4)21(30)25-20(24-18)16-13-15(14-23-22(16)34-7-3)35(32,33)28-9-11-29(31,6-2)12-10-28/h13-14H,5-12H2,1-4H3,(H,24,25,30)