(1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-[(2-hydroxy-5-nitro-phenyl)methyl]cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methyl]cyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-(2-hydroxy-5-nitro-benzyl)cyclopentanecarboxamide Formula: C24H32N8O6S MolecularWeight: 560.62588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O)SCCC

InChI

InChI=1S/C24H32N8O6S/c1-3-5-8-25-21-18-22(28-24(27-21)39-9-4-2)31(30-29-18)16-11-15(19(34)20(16)35)23(36)26-12-13-10-14(32(37)38)6-7-17(13)33/h6-7,10,15-16,19-20,33-35H,3-5,8-9,11-12H2,1-2H3,(H,26,36)(H,25,27,28)/t15-,16+,19+,20-/m0/s1