[2-(acetyloxymethyl)-4-(2-azanylpurin-9-yl)butyl] ethanoate hydrate

Systemtic Name: [2-(acetyloxymethyl)-4-(2-azanylpurin-9-yl)butyl] ethanoate hydrate Openeye Name: [2-(acetoxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate hydrate CAS Name: acetic acid [2-(acetyloxymethyl)-4-(2-amino-9-purinyl)butyl] ester hydrate IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate hydrate Traditional Name: acetic acid [2-(acetoxymethyl)-4-(2-aminopurin-9-yl)butyl] ester hydrate Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C.O

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C.O

InChI

InChI=1S/C14H19N5O4.H2O/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19;/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18);1H2