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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-2-(3-pyridazinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H36N8O4S MolecularWeight: 580.70164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=NN=CC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=NN=CC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

InChI

InChI=1S/C28H36N8O4S/c1-4-8-23-25-26(33-36(23)19-20-9-7-12-29-32-20)28(37)31-27(30-25)22-18-21(10-11-24(22)40-17-5-2)41(38,39)35-15-13-34(6-3)14-16-35/h7,9-12,18H,4-6,8,13-17,19H2,1-3H3,(H,30,31,37)