[3-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-2-methylidene-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-2-methylidene-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-hydroxy-2-methylene-butoxy]methylphosphonic acid CAS Name: [3-[2-amino-6-(cyclopropylamino)-9-purinyl]-4-hydroxy-2-methylenebutoxy]methylphosphonic acid IUPAC Name: [3-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-hydroxy-2-methylidenebutoxy]methylphosphonic acid Traditional Name: 2-[1-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-hydroxy-ethyl]allyloxymethylphosphonic acid Formula: C14H21N6O5P MolecularWeight: 384.327501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(COCP(=O)(O)O)C(CO)N1C=NC2=C1N=C(N=C2NC3CC3)N

Isomeric SMILES

C=C(COCP(=O)(O)O)C(CO)N1C=NC2=C1N=C(N=C2NC3CC3)N

InChI

InChI=1S/C14H21N6O5P/c1-8(5-25-7-26(22,23)24)10(4-21)20-6-16-11-12(17-9-2-3-9)18-14(15)19-13(11)20/h6,9-10,21H,1-5,7H2,(H2,22,23,24)(H3,15,17,18,19)