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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC(COCP(=O)(O)O)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CC(COCP(=O)(O)O)O)N

InChI

InChI=1S/C12H19N6O5P/c13-12-16-10(15-7-1-2-7)9-11(17-12)18(5-14-9)3-8(19)4-23-6-24(20,21)22/h5,7-8,19H,1-4,6H2,(H2,20,21,22)(H3,13,15,16,17)