[3-[2,6-bis(azanyl)purin-9-yl]-2,2-dimethyl-propoxy]methylphosphonic acid

Systemtic Name: [3-[2,6-bis(azanyl)purin-9-yl]-2,2-dimethyl-propoxy]methylphosphonic acid Openeye Name: [3-(2,6-diaminopurin-9-yl)-2,2-dimethyl-propoxy]methylphosphonic acid CAS Name: [3-(2,6-diamino-9-purinyl)-2,2-dimethylpropoxy]methylphosphonic acid IUPAC Name: [3-(2,6-diaminopurin-9-yl)-2,2-dimethylpropoxy]methylphosphonic acid Traditional Name: [3-(2,6-diaminopurin-9-yl)-2,2-dimethyl-propoxy]methylphosphonic acid Formula: C11H19N6O4P MolecularWeight: 330.280121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=NC2=C1N=C(N=C2N)N)COCP(=O)(O)O

Isomeric SMILES

CC(C)(CN1C=NC2=C1N=C(N=C2N)N)COCP(=O)(O)O

InChI

InChI=1S/C11H19N6O4P/c1-11(2,4-21-6-22(18,19)20)3-17-5-14-7-8(12)15-10(13)16-9(7)17/h5H,3-4,6H2,1-2H3,(H2,18,19,20)(H4,12,13,15,16)