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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-pyridin-2-yl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-(2-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-(2-pyridinyl)-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-pyridin-2-yl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-(2-pyridyl)-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:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=NN(C(=C4N3)C5=CC=CC=N5)CC6=CC=CC=N6

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=NN(C(=C4N3)C5=CC=CC=N5)CC6=CC=CC=N6

InChI

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