(2R,3S,5R)-5-(6-azanyl-2-chloranyl-8-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S,5R)-5-(6-azanyl-2-chloranyl-8-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S,5R)-5-(6-amino-2-chloro-8-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-5-[6-amino-2-chloro-8-(ethylthio)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloro-8-ethylsulfanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S,5R)-5-[6-amino-2-chloro-8-(ethylthio)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C12H16ClN5O3S MolecularWeight: 345.80514

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C3CC(C(O3)CO)O)N=C(N=C2N)Cl

Isomeric SMILES

CCSC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)N=C(N=C2N)Cl

InChI

InChI=1S/C12H16ClN5O3S/c1-2-22-12-15-8-9(14)16-11(13)17-10(8)18(12)7-3-5(20)6(4-19)21-7/h5-7,19-20H,2-4H2,1H3,(H2,14,16,17)/t5-,6+,7+/m0/s1