4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]heptane-5,6,7-triol

Systemtic Name: 4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]heptane-5,6,7-triol Openeye Name: 4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]heptane-5,6,7-triol CAS Name: 4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]spiro[2.4]heptane-5,6,7-triol IUPAC Name: 4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]heptane-5,6,7-triol Traditional Name: 4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]heptane-5,6,7-triol Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5C(C(C(C56CC6)O)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5C(C(C(C56CC6)O)O)O

InChI

InChI=1S/C23H28N6O3S/c1-2-10-33-22-25-20(24-14-11-13(14)12-6-4-3-5-7-12)15-21(26-22)29(28-27-15)18-16(30)17(31)19(32)23(18)8-9-23/h3-7,13-14,16-19,30-32H,2,8-11H2,1H3,(H,24,25,26)