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

Systemtic Name: 5-[2-ethoxy-5-(4-propylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-propylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-propyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-propylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-propylpiperazino)sulfonyl-3-pyridyl]-3-propyl-2-(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:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CCC

InChI

InChI=1S/C28H36N8O4S/c1-4-9-23-24-25(33-36(23)19-20-10-7-8-11-29-20)27(37)32-26(31-24)22-17-21(18-30-28(22)40-6-3)41(38,39)35-15-13-34(12-5-2)14-16-35/h7-8,10-11,17-18H,4-6,9,12-16,19H2,1-3H3,(H,31,32,37)