[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ethanoate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ethanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] acetate CAS Name: acetic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] acetate Traditional Name: acetic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C12H17N5O4/c1-7(19)21-5-8(4-18)2-3-17-6-14-9-10(17)15-12(13)16-11(9)20/h6,8,18H,2-5H2,1H3,(H3,13,15,16,20)