[2-(acetyloxymethyl)-4-[(6S)-1-azanyl-6-chloranyl-6H-purin-9-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[(6S)-1-azanyl-6-chloranyl-6H-purin-9-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-[(6S)-1-amino-6-chloro-6H-purin-9-yl]butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[(6S)-1-amino-6-chloro-6H-purin-9-yl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[(6S)-1-amino-6-chloro-6H-purin-9-yl]butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[(6S)-1-amino-6-chloro-6H-purin-9-yl]butyl] ester Formula: C14H20ClN5O4 MolecularWeight: 357.7927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1N=CN(C2Cl)N)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1N=CN([C@H]2Cl)N)COC(=O)C

InChI

InChI=1S/C14H20ClN5O4/c1-9(21)23-5-11(6-24-10(2)22)3-4-19-7-17-12-13(15)20(16)8-18-14(12)19/h7-8,11,13H,3-6,16H2,1-2H3/t13-/m1/s1