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

Systemtic Name: (1S,2R,3S,4R)-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol Openeye Name: (1S,2R,3S,4R)-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol CAS Name: (1S,2R,3S,4R)-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]cyclopentane-1,2,3-triol IUPAC Name: (1S,2R,3S,4R)-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol Traditional Name: (1S,2R,3S,4R)-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol Formula: C22H28N6O3S MolecularWeight: 456.56112

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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)O

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)O

InChI

InChI=1S/C22H28N6O3S/c1-3-9-32-22-23-20(27(2)14-10-13(14)12-7-5-4-6-8-12)17-21(24-22)28(26-25-17)15-11-16(29)19(31)18(15)30/h4-8,13-16,18-19,29-31H,3,9-11H2,1-2H3/t13?,14?,15-,16+,18+,19-/m1/s1