[(2S)-1-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[6-(allylamino)-2-amino-purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[2-amino-6-(prop-2-enylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[2-amino-6-(prop-2-enylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[6-(allylamino)-2-amino-purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C12H19N6O4P MolecularWeight: 342.290821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2NCC=C)N)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=C(N=C2NCC=C)N)OCP(=O)(O)O

InChI

InChI=1S/C12H19N6O4P/c1-3-4-14-10-9-11(17-12(13)16-10)18(6-15-9)5-8(2)22-7-23(19,20)21/h3,6,8H,1,4-5,7H2,2H3,(H2,19,20,21)(H3,13,14,16,17)/t8-/m0/s1