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

Systemtic Name: [2-(acetyloxymethyl)-4-(2-azanyl-6-bromanyl-purin-9-yl)butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-(2-amino-6-bromo-purin-9-yl)butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-(2-amino-6-bromo-9-purinyl)butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-(2-amino-6-bromopurin-9-yl)butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-(2-amino-6-bromo-purin-9-yl)butyl] ester Formula: C14H18BrN5O4 MolecularWeight: 400.22782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2Br)N)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2Br)N)COC(=O)C

InChI

InChI=1S/C14H18BrN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)