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

Systemtic Name: 2-[2-chloranyl-6-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-(2-phenoxyethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-(2-phenoxyethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H20ClN5O5 MolecularWeight: 421.8349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

InChI

InChI=1S/C18H20ClN5O5/c19-18-22-15(20-6-7-28-10-4-2-1-3-5-10)12-16(23-18)24(9-21-12)17-14(27)13(26)11(8-25)29-17/h1-5,9,11,13-14,17,25-27H,6-8H2,(H,20,22,23)