2-[2-chloranyl-6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-[(4-hydroxycyclohexyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H22ClN5O5 MolecularWeight: 399.82938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)O

InChI

InChI=1S/C16H22ClN5O5/c17-16-20-13(19-7-1-3-8(24)4-2-7)10-14(21-16)22(6-18-10)15-12(26)11(25)9(5-23)27-15/h6-9,11-12,15,23-26H,1-5H2,(H,19,20,21)