(1S,2R,3S,4R)-4-[7-(ethylamino)-5-propylsulfanyl-[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-(ethylamino)-5-propylsulfanyl-[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-(ethylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxylic acid CAS Name: (1S,2R,3S,4R)-4-[7-(ethylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-1-cyclopentanecarboxylic acid IUPAC Name: (1S,2R,3S,4R)-4-[7-(ethylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxylic acid Traditional Name: (1S,2R,3S,4R)-4-[7-(ethylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxylic acid Formula: C15H22N6O4S MolecularWeight: 382.43798

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NCC)N=NN2C3CC(C(C3O)O)C(=O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NCC)N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)O

InChI

InChI=1S/C15H22N6O4S/c1-3-5-26-15-17-12(16-4-2)9-13(18-15)21(20-19-9)8-6-7(14(24)25)10(22)11(8)23/h7-8,10-11,22-23H,3-6H2,1-2H3,(H,24,25)(H,16,17,18)/t7-,8+,10+,11-/m0/s1