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

Systemtic Name: 2-[4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentyl]oxyethanamide Openeye Name: 2-[4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentoxy]acetamide CAS Name: 2-[4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxycyclopentyl]oxyacetamide IUPAC Name: 2-[4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]oxyacetamide Traditional Name: 2-[4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentoxy]acetamide Formula: C18H29N7O4S MolecularWeight: 439.53236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N7O4S/c1-3-5-6-20-16-13-17(22-18(21-16)30-7-4-2)25(24-23-13)10-8-11(15(28)14(10)27)29-9-12(19)26/h10-11,14-15,27-28H,3-9H2,1-2H3,(H2,19,26)(H,20,21,22)