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

Systemtic Name: (2R,3S,4R,5R)-2-methyl-5-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]oxolane-3,4-diol Openeye Name: (2R,3S,4R,5R)-2-methyl-5-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R,5R)-2-methyl-5-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]oxolane-3,4-diol IUPAC Name: (2R,3S,4R,5R)-2-methyl-5-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]oxolane-3,4-diol Traditional Name: (2R,3S,4R,5R)-2-methyl-5-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]tetrahydrofuran-3,4-diol Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5C(C(C(O5)C)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2[C@H]5[C@@H]([C@@H]([C@H](O5)C)O)O

InChI

InChI=1S/C21H26N6O3S/c1-3-9-31-21-23-18(22-14-10-13(14)12-7-5-4-6-8-12)15-19(24-21)27(26-25-15)20-17(29)16(28)11(2)30-20/h4-8,11,13-14,16-17,20,28-29H,3,9-10H2,1-2H3,(H,22,23,24)/t11-,13?,14?,16-,17-,20-/m1/s1