2-[[2,6-bis(azanyl)-8-bromanyl-purin-9-yl]methoxy]propane-1,3-diol

Systemtic Name: 2-[[2,6-bis(azanyl)-8-bromanyl-purin-9-yl]methoxy]propane-1,3-diol Openeye Name: 2-[(2,6-diamino-8-bromo-purin-9-yl)methoxy]propane-1,3-diol CAS Name: 2-[(2,6-diamino-8-bromo-9-purinyl)methoxy]propane-1,3-diol IUPAC Name: 2-[(2,6-diamino-8-bromopurin-9-yl)methoxy]propane-1,3-diol Traditional Name: 2-[(2,6-diamino-8-bromo-purin-9-yl)methoxy]propane-1,3-diol Formula: C9H13BrN6O3 MolecularWeight: 333.14192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OCN1C2=C(C(=NC(=N2)N)N)N=C1Br)O

Isomeric SMILES

C(C(CO)OCN1C2=C(C(=NC(=N2)N)N)N=C1Br)O

InChI

InChI=1S/C9H13BrN6O3/c10-8-13-5-6(11)14-9(12)15-7(5)16(8)3-19-4(1-17)2-18/h4,17-18H,1-3H2,(H4,11,12,14,15)