[(2-azanyl-6-methylsulfanyl-purin-9-yl)-(3-oxidanylpropoxy)methyl] 2,2-dimethylpropanoate

Systemtic Name: [(2-azanyl-6-methylsulfanyl-purin-9-yl)-(3-oxidanylpropoxy)methyl] 2,2-dimethylpropanoate Openeye Name: [(2-amino-6-methylsulfanyl-purin-9-yl)-(3-hydroxypropoxy)methyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[2-amino-6-(methylthio)-9-purinyl]-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2-amino-6-methylsulfanylpurin-9-yl)-(3-hydroxypropoxy)methyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[2-amino-6-(methylthio)purin-9-yl]-(3-hydroxypropoxy)methyl] ester Formula: C15H23N5O4S MolecularWeight: 369.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(N1C=NC2=C1N=C(N=C2SC)N)OCCCO

Isomeric SMILES

CC(C)(C)C(=O)OC(N1C=NC2=C1N=C(N=C2SC)N)OCCCO

InChI

InChI=1S/C15H23N5O4S/c1-15(2,3)12(22)24-14(23-7-5-6-21)20-8-17-9-10(20)18-13(16)19-11(9)25-4/h8,14,21H,5-7H2,1-4H3,(H2,16,18,19)