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

Systemtic Name: (1R,2S,3R,5R)-3-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentane-1,2-diol Formula: C19H29N9O2S MolecularWeight: 447.55766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C4=NNC(=N4)C)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C4=NNC(=N4)C)SCCC

InChI

InChI=1S/C19H29N9O2S/c1-4-6-7-20-17-13-18(23-19(22-17)31-8-5-2)28(27-25-13)12-9-11(14(29)15(12)30)16-21-10(3)24-26-16/h11-12,14-15,29-30H,4-9H2,1-3H3,(H,20,22,23)(H,21,24,26)/t11-,12+,14+,15-/m0/s1