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

Systemtic Name: 5-[5-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-2-ethoxy-pyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-ethoxy-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-2-ethoxy-3-pyridinyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-ethoxypyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-benzhydrylpiperazino)sulfonyl-2-ethoxy-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C38H40N8O4S MolecularWeight: 704.8404

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)C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H40N8O4S/c1-3-13-32-33-34(43-46(32)26-29-18-11-12-19-39-29)37(47)42-36(41-33)31-24-30(25-40-38(31)50-4-2)51(48,49)45-22-20-44(21-23-45)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-12,14-19,24-25,35H,3-4,13,20-23,26H2,1-2H3,(H,41,42,47)