[(2S)-1-(2-azanyl-8-bromanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(2-azanyl-8-bromanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-(2-amino-8-bromo-6-keto-7,8-dihydro-3H-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H15BrN5O5P MolecularWeight: 384.123661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(NC2=C1NC(=NC2=O)N)Br)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C(NC2=C1NC(=NC2=O)N)Br)OCP(=O)(O)O

InChI

InChI=1S/C9H15BrN5O5P/c1-4(20-3-21(17,18)19)2-15-6-5(12-8(15)10)7(16)14-9(11)13-6/h4,8,12H,2-3H2,1H3,(H2,17,18,19)(H3,11,13,14,16)/t4-,8?/m0/s1