[2-(acetyloxymethyl)-4-[2-azanyl-6-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-purin-7-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-azanyl-6-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-purin-7-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-[2-amino-6-(3-oxo-3-phenyl-propyl)sulfanyl-purin-7-yl]butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[2-amino-6-[(3-oxo-3-phenylpropyl)thio]-7-purinyl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[2-amino-6-(3-oxo-3-phenylpropyl)sulfanylpurin-7-yl]butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[2-amino-6-[(3-keto-3-phenyl-propyl)thio]purin-7-yl]butyl] ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)SCCC(=O)C3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)SCCC(=O)C3=CC=CC=C3)COC(=O)C

InChI

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