(1S,2R,3S,4R)-4-[7-(butylamino)-5-phenylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxylic acid

Systemtic Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-phenylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxylic acid Openeye Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-phenylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxylic acid CAS Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(phenylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-1-cyclopentanecarboxylic acid IUPAC Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-phenylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxylic acid Traditional Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(phenylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxylic acid Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O4S/c1-2-3-9-21-17-14-18(23-20(22-17)31-11-7-5-4-6-8-11)26(25-24-14)13-10-12(19(29)30)15(27)16(13)28/h4-8,12-13,15-16,27-28H,2-3,9-10H2,1H3,(H,29,30)(H,21,22,23)/t12-,13+,15+,16-/m0/s1