2-[(2-chlorophenyl)sulfanylmethyl]-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-[(2-chlorophenyl)sulfanylmethyl]-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[(2-chlorophenyl)sulfanylmethyl]-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[[(2-chlorophenyl)thio]methyl]-5-[6-(cyclopentylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[(2-chlorophenyl)sulfanylmethyl]-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[[(2-chlorophenyl)thio]methyl]-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H24ClN5O3S MolecularWeight: 461.96496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CSC5=CC=CC=C5Cl)O)O

Isomeric SMILES

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CSC5=CC=CC=C5Cl)O)O

InChI

InChI=1S/C21H24ClN5O3S/c22-13-7-3-4-8-15(13)31-9-14-17(28)18(29)21(30-14)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)