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9-cyclohexyl-2-propoxy-purin-6-amine; 2-oxidanylethanesulfonic acid

9-cyclohexyl-2-propoxy-purin-6-amine; 2-oxidanylethanesulfonic acid

Systemtic Name:9-cyclohexyl-2-propoxy-purin-6-amine; 2-oxidanylethanesulfonic acid
Openeye Name:9-cyclohexyl-2-propoxy-purin-6-amine; 2-hydroxyethanesulfonic acid
CAS Name:9-cyclohexyl-2-propoxy-6-purinamine; 2-hydroxyethanesulfonic acid
IUPAC Name:9-cyclohexyl-2-propoxypurin-6-amine; 2-hydroxyethanesulfonic acid
Traditional Name:(9-cyclohexyl-2-propoxy-purin-6-yl)amine; 2-hydroxyethanesulfonic acid
Formula: C16H27N5O5S
MolecularWeight: 401.48108
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(C(=N1)N)N=CN2C3CCCCC3.C(CS(=O)(=O)O)O


Isomeric SMILES

CCCOC1=NC2=C(C(=N1)N)N=CN2C3CCCCC3.C(CS(=O)(=O)O)O


InChI

InChI=1S/C14H21N5O.C2H6O4S/c1-2-8-20-14-17-12(15)11-13(18-14)19(9-16-11)10-6-4-3-5-7-10;3-1-2-7(4,5)6/h9-10H,2-8H2,1H3,(H2,15,17,18);3H,1-2H2,(H,4,5,6)


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