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

Systemtic Name: [5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ethanoate Openeye Name: [5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl acetate CAS Name: acetic acid [5-[2-(2-amino-6-chloro-9-purinyl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ester IUPAC Name: [5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl acetate Traditional Name: acetic acid [5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-2-methyl-1,3-dioxan-2-yl]methyl ester Formula: C15H20ClN5O4 MolecularWeight: 369.8034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(OCC(CO1)CCN2C=NC3=C2N=C(N=C3Cl)N)C

Isomeric SMILES

CC(=O)OCC1(OCC(CO1)CCN2C=NC3=C2N=C(N=C3Cl)N)C

InChI

InChI=1S/C15H20ClN5O4/c1-9(22)23-7-15(2)24-5-10(6-25-15)3-4-21-8-18-11-12(16)19-14(17)20-13(11)21/h8,10H,3-7H2,1-2H3,(H2,17,19,20)