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

Systemtic Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2-(3-pyridazinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H34N8O4S MolecularWeight: 566.67506

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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)CC)CC5=NN=CC=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=NN=CC=C5

InChI

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