3-tert-butyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-tert-butyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-1-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H36N8O4S MolecularWeight: 580.70164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=C(N3)C(=NN4CC5=CC=CC=N5)C(C)(C)C)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=C(N3)C(=NN4CC5=CC=CC=N5)C(C)(C)C)OCC

InChI

InChI=1S/C28H36N8O4S/c1-6-34-12-14-35(15-13-34)41(38,39)20-16-21(27(30-17-20)40-7-2)25-31-22-23(26(37)32-25)36(33-24(22)28(3,4)5)18-19-10-8-9-11-29-19/h8-11,16-17H,6-7,12-15,18H2,1-5H3,(H,31,32,37)