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

Systemtic Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[(3,5-dimethyl-1-piperazinyl)sulfonyl]-2-methoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-(3,5-dimethylpiperazino)sulfonyl-2-methoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C22H30N6O3S2 MolecularWeight: 490.642

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S2/c1-6-7-17-19-20(27(4)26-17)22(32)25-21(24-19)16-10-15(8-9-18(16)31-5)33(29,30)28-11-13(2)23-14(3)12-28/h8-10,13-14,23H,6-7,11-12H2,1-5H3,(H,24,25,32)