5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-pyridin-3-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-3-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-(3-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-(3-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-3-yl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-(3-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=CN=CC=C5)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=CN=CC=C5)CC6=CC=CC=N6

InChI

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