2-[[2-acetamido-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-acetamido-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6,8-bis(allylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6,8-bis(prop-2-enylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6,8-bis(allylthio)purin-9-yl]methoxy]ethyl ester Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SCC=C)N=C(N2COCCOC(=O)C)SCC=C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SCC=C)N=C(N2COCCOC(=O)C)SCC=C

InChI

InChI=1S/C18H23N5O4S2/c1-5-9-28-16-14-15(21-17(22-16)19-12(3)24)23(18(20-14)29-10-6-2)11-26-7-8-27-13(4)25/h5-6H,1-2,7-11H2,3-4H3,(H,19,21,22,24)