[4-(2-azanyl-6-chloranyl-purin-7-yl)-2-(hydroxymethyl)butyl] ethanoate

Systemtic Name: [4-(2-azanyl-6-chloranyl-purin-7-yl)-2-(hydroxymethyl)butyl] ethanoate Openeye Name: [4-(2-amino-6-chloro-purin-7-yl)-2-(hydroxymethyl)butyl] acetate CAS Name: acetic acid [4-(2-amino-6-chloro-7-purinyl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-chloropurin-7-yl)-2-(hydroxymethyl)butyl] acetate Traditional Name: acetic acid [4-(2-amino-6-chloro-purin-7-yl)-2-methylol-butyl] ester Formula: C12H16ClN5O3 MolecularWeight: 313.74014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)Cl)CO

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)Cl)CO

InChI

InChI=1S/C12H16ClN5O3/c1-7(20)21-5-8(4-19)2-3-18-6-15-11-9(18)10(13)16-12(14)17-11/h6,8,19H,2-5H2,1H3,(H2,14,16,17)