(1S,2R,3S,4R)-N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-4-[7-(butylamino)-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)-N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-4-[7-(butylamino)-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)-N-[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-N-(2-amino-2-keto-1-methylol-ethyl)-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide Formula: C20H32N8O5S MolecularWeight: 496.58368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)NC(CO)C(=O)N)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NC(CO)C(=O)N)SCCC

InChI

InChI=1S/C20H32N8O5S/c1-3-5-6-22-17-13-18(25-20(24-17)34-7-4-2)28(27-26-13)12-8-10(14(30)15(12)31)19(33)23-11(9-29)16(21)32/h10-12,14-15,29-31H,3-9H2,1-2H3,(H2,21,32)(H,23,33)(H,22,24,25)/t10-,11?,12+,14+,15-/m0/s1