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

Systemtic Name: 5-[5-(4-ethyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-2-propoxy-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-4-oxido-1-piperazin-4-iumyl)sulfonyl]-2-propoxy-3-pyridinyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)sulfonyl-2-propoxypyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-2-propoxy-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H36N8O5S MolecularWeight: 596.70104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CC[N+](CC5)(CC)[O-]

InChI

InChI=1S/C28H36N8O5S/c1-4-9-23-24-25(33-35(23)19-20-10-7-8-11-29-20)27(37)32-26(31-24)22-17-21(18-30-28(22)41-16-5-2)42(39,40)34-12-14-36(38,6-3)15-13-34/h7-8,10-11,17-18H,4-6,9,12-16,19H2,1-3H3,(H,31,32,37)