(3aS,4R,6S,6aR)-N-[2,2-bis(fluoranyl)-3-oxidanyl-propyl]-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide

Systemtic Name: (3aS,4R,6S,6aR)-N-[2,2-bis(fluoranyl)-3-oxidanyl-propyl]-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide Openeye Name: (3aS,4R,6S,6aR)-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-N-(2,2-difluoro-3-hydroxy-propyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide CAS Name: (3aS,4R,6S,6aR)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-N-(2,2-difluoro-3-hydroxypropyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide IUPAC Name: (3aS,4R,6S,6aR)-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide Traditional Name: (3aS,4R,6S,6aR)-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-N-(2,2-difluoro-3-hydroxy-propyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxamide Formula: C23H35F2N7O4S MolecularWeight: 543.630306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C4C3OC(O4)(C)C)C(=O)NCC(CO)(F)F)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)C(=O)NCC(CO)(F)F)SCCC

InChI

InChI=1S/C23H35F2N7O4S/c1-5-7-8-26-18-15-19(29-21(28-18)37-9-6-2)32(31-30-15)14-10-13(16-17(14)36-22(3,4)35-16)20(34)27-11-23(24,25)12-33/h13-14,16-17,33H,5-12H2,1-4H3,(H,27,34)(H,26,28,29)/t13-,14+,16+,17-/m0/s1