(2S,3S,4R)-5-(6-azanyl-2-pentylsulfanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R)-5-(6-azanyl-2-pentylsulfanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R)-5-(6-amino-2-pentylsulfanyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R)-5-[6-amino-2-(pentylthio)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3S,4R)-5-[6-amino-2-(amylthio)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C17H26N6O4S MolecularWeight: 410.49114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC)O)O

Isomeric SMILES

CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O

InChI

InChI=1S/C17H26N6O4S/c1-3-5-6-7-28-17-21-13(18)9-14(22-17)23(8-20-9)16-11(25)10(24)12(27-16)15(26)19-4-2/h8,10-12,16,24-25H,3-7H2,1-2H3,(H,19,26)(H2,18,21,22)/t10-,11+,12-,16?/m0/s1