8-[5-[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-[5-[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-[5-[[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]sulfonyl-2-propoxyphenyl]-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-amyl-8-[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazino]sulfonyl-2-propoxy-phenyl]-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C28H40N8O6S MolecularWeight: 616.7322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CCOCCO)OCCC

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CCOCCO)OCCC

InChI

InChI=1S/C28H40N8O6S/c1-3-5-6-9-35-26-24(27-32-29-20-36(27)28(35)38)30-25(31-26)22-19-21(7-8-23(22)42-16-4-2)43(39,40)34-12-10-33(11-13-34)14-17-41-18-15-37/h7-8,19-20,32,37H,3-6,9-18H2,1-2H3