5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methylpropoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methylpropoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-isobutoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-(2-methylpropoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methylpropoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-isobutoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C25H36N6O3S2 MolecularWeight: 532.72174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC(C)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC(C)C)C

InChI

InChI=1S/C25H36N6O3S2/c1-6-8-20-22-23(29(5)28-20)25(35)27-24(26-22)19-15-18(9-10-21(19)34-16-17(3)4)36(32,33)31-13-11-30(7-2)12-14-31/h9-10,15,17H,6-8,11-14,16H2,1-5H3,(H,26,27,35)