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

Systemtic Name: 5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C24H34N6O4S2 MolecularWeight: 534.69456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)C

InChI

InChI=1S/C24H34N6O4S2/c1-4-6-19-21-22(28(3)27-19)24(35)26-23(25-21)18-16-17(7-8-20(18)34-15-5-2)36(32,33)30-11-9-29(10-12-30)13-14-31/h7-8,16,31H,4-6,9-15H2,1-3H3,(H,25,26,35)