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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-3,4-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-3,4-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-3,4-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-3,4-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-propyl-3,4-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C22H32N6O3S2 MolecularWeight: 492.65788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(C(=S)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)N(N1)C

Isomeric SMILES

CCCC1C2=C(C(=S)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)N(N1)C

InChI

InChI=1S/C22H32N6O3S2/c1-5-7-17-19-20(27(4)25-17)22(32)24-21(23-19)16-14-15(8-9-18(16)31-6-2)33(29,30)28-12-10-26(3)11-13-28/h8-9,14,17,25H,5-7,10-13H2,1-4H3,(H,23,24,32)