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

Systemtic Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-phenylmethoxy-pyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-benzyloxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-phenylmethoxy-3-pyridinyl]-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-phenylmethoxypyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-benzoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C31H34N8O4S MolecularWeight: 614.71786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC5=CC=CC=C5)S(=O)(=O)N6CCN(CC6)CC

Isomeric SMILES

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC5=CC=CC=C5)S(=O)(=O)N6CCN(CC6)CC

InChI

InChI=1S/C31H34N8O4S/c1-3-26-27-28(36-39(26)20-23-12-8-9-13-32-23)30(40)35-29(34-27)25-18-24(44(41,42)38-16-14-37(4-2)15-17-38)19-33-31(25)43-21-22-10-6-5-7-11-22/h5-13,18-19H,3-4,14-17,20-21H2,1-2H3,(H,34,35,40)