5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-methoxy-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-methoxy-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-methoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-methoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-methoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C22H30N6O4S2 MolecularWeight: 506.6414

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4S2/c1-4-5-17-19-20(26(2)25-17)22(33)24-21(23-19)16-14-15(6-7-18(16)32-3)34(30,31)28-10-8-27(9-11-28)12-13-29/h6-7,14,29H,4-5,8-13H2,1-3H3,(H,23,24,33)