[5-[2-(2-azanylpurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ethanoate

Systemtic Name: [5-[2-(2-azanylpurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ethanoate Openeye Name: [5-[2-(2-aminopurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl acetate CAS Name: acetic acid [5-[2-(2-amino-9-purinyl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ester IUPAC Name: [5-[2-(2-aminopurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl acetate Traditional Name: acetic acid [5-[2-(2-aminopurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ester Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(OCC(CO1)CCN2C=NC3=CN=C(N=C32)N)C

Isomeric SMILES

CC(=O)OCC1(OCC(CO1)CCN2C=NC3=CN=C(N=C32)N)C

InChI

InChI=1S/C15H21N5O4/c1-10(21)22-8-15(2)23-6-11(7-24-15)3-4-20-9-18-12-5-17-14(16)19-13(12)20/h5,9,11H,3-4,6-8H2,1-2H3,(H2,16,17,19)