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

Systemtic Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[(3,5-dimethyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-(3,5-dimethylpiperazino)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C23H32N6O3S2 MolecularWeight: 504.66858

Click to see the large picture

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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O3S2/c1-6-8-18-20-21(28(5)27-18)23(33)26-22(25-20)17-11-16(9-10-19(17)32-7-2)34(30,31)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,33)