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

Systemtic Name: 2-[[2-acetamido-6,8-bis(propan-2-ylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6,8-bis(isopropylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6,8-bis(propan-2-ylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6,8-bis(propan-2-ylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6,8-bis(isopropylthio)purin-9-yl]methoxy]ethyl ester Formula: C18H27N5O4S2 MolecularWeight: 441.56808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SC(C)C)NC(=O)C

Isomeric SMILES

CC(C)SC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SC(C)C)NC(=O)C

InChI

InChI=1S/C18H27N5O4S2/c1-10(2)28-16-14-15(21-17(22-16)19-12(5)24)23(18(20-14)29-11(3)4)9-26-7-8-27-13(6)25/h10-11H,7-9H2,1-6H3,(H,19,21,22,24)