[2-(acetyloxymethyl)-4-[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-[2-amino-6-(4-chlorophenyl)sulfanyl-purin-9-yl]butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[2-amino-6-[(4-chlorophenyl)thio]-9-purinyl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[2-amino-6-(4-chlorophenyl)sulfanylpurin-9-yl]butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[2-amino-6-[(4-chlorophenyl)thio]purin-9-yl]butyl] ester Formula: C20H22ClN5O4S MolecularWeight: 463.93778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2SC3=CC=C(C=C3)Cl)N)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2SC3=CC=C(C=C3)Cl)N)COC(=O)C

InChI

InChI=1S/C20H22ClN5O4S/c1-12(27)29-9-14(10-30-13(2)28)7-8-26-11-23-17-18(26)24-20(22)25-19(17)31-16-5-3-15(21)4-6-16/h3-6,11,14H,7-10H2,1-2H3,(H2,22,24,25)