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

Systemtic Name: 5-(6-aminopurin-9-yl)-N-(2-chloroethyl)-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-(6-aminopurin-9-yl)-N-(2-chloroethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-(6-aminopurin-9-yl)-N-(2-chloroethyl)-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-(6-aminopurin-9-yl)-N-(2-chloroethyl)-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-adenin-9-yl-N-(2-chloroethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C12H15ClN6O4 MolecularWeight: 342.7383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN6O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2H2,(H,15,22)(H2,14,16,17)