(1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-4-[7-(cyclobutylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide Formula: C17H25N7O3S MolecularWeight: 407.4905

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CCC3)N=NN2C4CC(C(C4O)O)C(=O)N

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CCC3)N=NN2[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)N

InChI

InChI=1S/C17H25N7O3S/c1-2-6-28-17-20-15(19-8-4-3-5-8)11-16(21-17)24(23-22-11)10-7-9(14(18)27)12(25)13(10)26/h8-10,12-13,25-26H,2-7H2,1H3,(H2,18,27)(H,19,20,21)/t9-,10+,12+,13-/m0/s1