[3-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [3-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[6-(allylamino)-2-amino-purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[2-amino-6-(prop-2-enylamino)-9-purinyl]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[2-amino-6-(prop-2-enylamino)purin-9-yl]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[6-(allylamino)-2-amino-purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid Formula: C12H19N6O5P MolecularWeight: 358.290221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)(O)O)O)N

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)(O)O)O)N

InChI

InChI=1S/C12H19N6O5P/c1-2-3-14-10-9-11(17-12(13)16-10)18(6-15-9)4-8(19)5-23-7-24(20,21)22/h2,6,8,19H,1,3-5,7H2,(H2,20,21,22)(H3,13,14,16,17)