2-[2-(6-azanylpurin-7-yl)-1-bromanyl-ethylidene]propane-1,3-diol

Systemtic Name: 2-[2-(6-azanylpurin-7-yl)-1-bromanyl-ethylidene]propane-1,3-diol Openeye Name: 2-[2-(6-aminopurin-7-yl)-1-bromo-ethylidene]propane-1,3-diol CAS Name: 2-[2-(6-amino-7-purinyl)-1-bromoethylidene]propane-1,3-diol IUPAC Name: 2-[2-(6-aminopurin-7-yl)-1-bromoethylidene]propane-1,3-diol Traditional Name: 2-[2-(6-aminopurin-7-yl)-1-bromo-ethylidene]propane-1,3-diol Formula: C10H12BrN5O2 MolecularWeight: 314.13858

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N(C=N2)CC(=C(CO)CO)Br

Isomeric SMILES

C1=NC2=C(C(=N1)N)N(C=N2)CC(=C(CO)CO)Br

InChI

InChI=1S/C10H12BrN5O2/c11-7(6(2-17)3-18)1-16-5-15-10-8(16)9(12)13-4-14-10/h4-5,17-18H,1-3H2,(H2,12,13,14)