5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-1,3-dioxan-2-one

Systemtic Name: 5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-1,3-dioxan-2-one Openeye Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-1,3-dioxan-2-one CAS Name: 5-[2-(2-amino-6-chloro-9-purinyl)ethyl]-1,3-dioxan-2-one IUPAC Name: 5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-1,3-dioxan-2-one Traditional Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-1,3-dioxan-2-one Formula: C11H12ClN5O3 MolecularWeight: 297.69768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1C(COC(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C11H12ClN5O3/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-1-6-3-19-11(18)20-4-6/h5-6H,1-4H2,(H2,13,15,16)