8-[5-[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-6-(2-methylpropyl)-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-(2-methylpropyl)-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-isobutyl-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-(2-methylpropyl)-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-(2-methylpropyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazino]sulfonyl-2-propoxy-phenyl]-6-isobutyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C27H38N8O6S MolecularWeight: 602.70562

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOCCO)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOCCO)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC(C)C

InChI

InChI=1S/C27H38N8O6S/c1-4-13-41-22-6-5-20(42(38,39)33-9-7-32(8-10-33)11-14-40-15-12-36)16-21(22)24-29-23-25(30-24)34(17-19(2)3)27(37)35-18-28-31-26(23)35/h5-6,16,18-19,31,36H,4,7-15,17H2,1-3H3