(1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-propylsulfanyl-7-(2-thiophen-2-ylethylamino)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol

Systemtic Name: (1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-propylsulfanyl-7-(2-thiophen-2-ylethylamino)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Openeye Name: (1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-propylsulfanyl-7-[2-(2-thienyl)ethylamino]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol CAS Name: (1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-(propylthio)-7-(2-thiophen-2-ylethylamino)-3-triazolo[4,5-d]pyrimidinyl]cyclopentane-1,2-diol IUPAC Name: (1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-propylsulfanyl-7-(2-thiophen-2-ylethylamino)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Traditional Name: (1S,2R,3R,5R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[5-(propylthio)-7-[2-(2-thienyl)ethylamino]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Formula: C21H27N9O2S2 MolecularWeight: 501.62818

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NCCC3=CC=CS3)N=NN2C4CC(C(C4O)O)C5=NNC(=N5)C

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NCCC3=CC=CS3)N=NN2[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C5=NNC(=N5)C

InChI

InChI=1S/C21H27N9O2S2/c1-3-8-34-21-24-19(22-7-6-12-5-4-9-33-12)15-20(25-21)30(29-27-15)14-10-13(16(31)17(14)32)18-23-11(2)26-28-18/h4-5,9,13-14,16-17,31-32H,3,6-8,10H2,1-2H3,(H,22,24,25)(H,23,26,28)/t13-,14+,16+,17-/m0/s1