2-[2-(2-azanylpurin-9-yl)ethyl]propane-1,3-diol hydrochloride

Systemtic Name: 2-[2-(2-azanylpurin-9-yl)ethyl]propane-1,3-diol hydrochloride Openeye Name: 2-[2-(2-aminopurin-9-yl)ethyl]propane-1,3-diol hydrochloride CAS Name: 2-[2-(2-amino-9-purinyl)ethyl]propane-1,3-diol hydrochloride IUPAC Name: 2-[2-(2-aminopurin-9-yl)ethyl]propane-1,3-diol hydrochloride Traditional Name: 2-[2-(2-aminopurin-9-yl)ethyl]propane-1,3-diol hydrochloride Formula: C10H16ClN5O2 MolecularWeight: 273.71934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=N1)N)N(C=N2)CCC(CO)CO.Cl

Isomeric SMILES

C1=C2C(=NC(=N1)N)N(C=N2)CCC(CO)CO.Cl

InChI

InChI=1S/C10H15N5O2.ClH/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7(4-16)5-17;/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,14);1H