1-[4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentyl]-2-hydroxy-ethanone CAS Name: 1-[4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxycyclopentyl]-2-hydroxyethanone IUPAC Name: 1-[4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]-2-hydroxyethanone Traditional Name: 1-[4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentyl]-2-hydroxy-ethanone Formula: C18H28N6O4S MolecularWeight: 424.51772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)CO)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)CO)SCCC

InChI

InChI=1S/C18H28N6O4S/c1-3-5-6-19-16-13-17(21-18(20-16)29-7-4-2)24(23-22-13)11-8-10(12(26)9-25)14(27)15(11)28/h10-11,14-15,25,27-28H,3-9H2,1-2H3,(H,19,20,21)