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

Systemtic Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-2-(3-pyridazinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H35N9O4S MolecularWeight: 581.6897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=NN=CC=C4)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=NN=CC=C4)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C27H35N9O4S/c1-4-7-15-40-27-21(16-20(17-28-27)41(38,39)35-13-11-34(6-3)12-14-35)25-30-23-22(5-2)36(33-24(23)26(37)31-25)18-19-9-8-10-29-32-19/h8-10,16-17H,4-7,11-15,18H2,1-3H3,(H,30,31,37)