3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-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-propoxy-pyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxy-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-propoxypyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H34N8O4S MolecularWeight: 566.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C27H34N8O4S/c1-4-15-39-27-21(16-20(17-29-27)40(37,38)34-13-11-33(6-3)12-14-34)25-30-23-22(5-2)35(32-24(23)26(36)31-25)18-19-9-7-8-10-28-19/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,30,31,36)