5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-ethyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione

Systemtic Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-ethyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-ethyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[(3,5-dimethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-ethyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-ethyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-(3,5-dimethylpiperazino)sulfonyl-2-propoxy-phenyl]-1-ethyl-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)N4CC(NC(C4)C)C)OCCC)CC

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CC(NC(C4)C)C)OCCC)CC

InChI

InChI=1S/C25H36N6O3S2/c1-6-9-20-22-23(31(8-3)29-20)25(35)28-24(27-22)19-13-18(10-11-21(19)34-12-7-2)36(32,33)30-14-16(4)26-17(5)15-30/h10-11,13,16-17,26H,6-9,12,14-15H2,1-5H3,(H,27,28,35)