(1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-(2-hydroxyethyl)-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-(2-hydroxyethyl)-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-(2-hydroxyethyl)cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-N-(2-hydroxyethyl)-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-(2-hydroxyethyl)cyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-(2-hydroxyethyl)cyclopentanecarboxamide Formula: C19H31N7O4S MolecularWeight: 453.55894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCCO)SCCC

InChI

InChI=1S/C19H31N7O4S/c1-3-5-6-20-16-13-17(23-19(22-16)31-9-4-2)26(25-24-13)12-10-11(14(28)15(12)29)18(30)21-7-8-27/h11-12,14-15,27-29H,3-10H2,1-2H3,(H,21,30)(H,20,22,23)/t11-,12+,14+,15-/m0/s1