2-chloroethyl 5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate

Systemtic Name: 2-chloroethyl 5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate Openeye Name: 2-chloroethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylate CAS Name: 5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanecarboxylic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate Traditional Name: 5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid 2-chloroethyl ester Formula: C12H14ClN5O5 MolecularWeight: 343.72306

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)OCCCl)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)OCCCl)O)O

InChI

InChI=1S/C12H14ClN5O5/c13-1-2-22-12(21)8-6(19)7(20)11(23-8)18-4-17-5-9(14)15-3-16-10(5)18/h3-4,6-8,11,19-20H,1-2H2,(H2,14,15,16)