(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol

Systemtic Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Openeye Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol CAS Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]cyclopentane-1,2-diol IUPAC Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Traditional Name: (1S,2R,3R,5R)-3-methylol-5-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)N(C)C3CC3C4=CC=CC=C4)N=NN2C5CC(C(C5O)O)CO

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)N(C)C3CC3C4=CC=CC=C4)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO

InChI

InChI=1S/C23H30N6O3S/c1-3-9-33-23-24-21(28(2)16-11-15(16)13-7-5-4-6-8-13)18-22(25-23)29(27-26-18)17-10-14(12-30)19(31)20(17)32/h4-8,14-17,19-20,30-32H,3,9-12H2,1-2H3/t14-,15?,16?,17-,19-,20+/m1/s1