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

Systemtic Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl propanoate Openeye Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl propanoate CAS Name: propanoic acid 2-[6-(methylamino)-2-(propylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-propylsulfanylpurin-9-yl]ethyl propanoate Traditional Name: propionic acid 2-[6-(methylamino)-2-(propylthio)purin-9-yl]ethyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O2S/c1-4-8-22-14-17-12(15-3)11-13(18-14)19(9-16-11)6-7-21-10(20)5-2/h9H,4-8H2,1-3H3,(H,15,17,18)