2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl ethanoate

Systemtic Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl ethanoate Openeye Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl acetate CAS Name: acetic acid 2-[6-(methylamino)-2-(propylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-propylsulfanylpurin-9-yl]ethyl acetate Traditional Name: acetic acid 2-[6-(methylamino)-2-(propylthio)purin-9-yl]ethyl ester Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C

InChI

InChI=1S/C13H19N5O2S/c1-4-7-21-13-16-11(14-3)10-12(17-13)18(8-15-10)5-6-20-9(2)19/h8H,4-7H2,1-3H3,(H,14,16,17)