[2-(acetyloxymethyl)-7-(2-aminophenyl)-7-oxidanylidene-5-purin-9-ylsulfanyl-heptyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-7-(2-aminophenyl)-7-oxidanylidene-5-purin-9-ylsulfanyl-heptyl] ethanoate Openeye Name: [2-(acetoxymethyl)-7-(2-aminophenyl)-7-oxo-5-purin-9-ylsulfanyl-heptyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-7-(2-aminophenyl)-7-oxo-5-(9-purinylthio)heptyl] ester IUPAC Name: [2-(acetyloxymethyl)-7-(2-aminophenyl)-7-oxo-5-purin-9-ylsulfanylheptyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-7-(2-aminophenyl)-7-keto-5-(purin-9-ylthio)heptyl] ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCC(CC(=O)C1=CC=CC=C1N)SN2C=NC3=CN=CN=C32)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCC(CC(=O)C1=CC=CC=C1N)SN2C=NC3=CN=CN=C32)COC(=O)C

InChI

InChI=1S/C23H27N5O5S/c1-15(29)32-11-17(12-33-16(2)30)7-8-18(9-22(31)19-5-3-4-6-20(19)24)34-28-14-27-21-10-25-13-26-23(21)28/h3-6,10,13-14,17-18H,7-9,11-12,24H2,1-2H3