2-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]propane-1,3-diol

Systemtic Name: 2-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]propane-1,3-diol Openeye Name: 2-[2-(2-amino-6-chloro-purin-9-yl)ethyl]propane-1,3-diol CAS Name: 2-[2-(2-amino-6-chloro-9-purinyl)ethyl]propane-1,3-diol IUPAC Name: 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol Traditional Name: 2-[2-(2-amino-6-chloro-purin-9-yl)ethyl]propane-1,3-diol Formula: C10H14ClN5O2 MolecularWeight: 271.70346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)CO)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)CO)N=C(N=C2Cl)N

InChI

InChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)2-1-6(3-17)4-18/h5-6,17-18H,1-4H2,(H2,12,14,15)