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

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

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=S)C4=C(N3)C(=NN4C)CCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=S)C4=C(N3)C(=NN4C)CCC

InChI

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