2-[2,6-bis(azanyl)-8-propan-2-yl-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2,6-bis(azanyl)-8-propan-2-yl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2,6-diamino-8-isopropyl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2,6-diamino-8-propan-2-yl-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2,6-diamino-8-propan-2-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,6-diamino-8-isopropyl-purin-9-yl)ethoxymethylphosphonic acid Formula: C11H19N6O4P MolecularWeight: 330.280121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

CC(C)C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C11H19N6O4P/c1-6(2)9-14-7-8(12)15-11(13)16-10(7)17(9)3-4-21-5-22(18,19)20/h6H,3-5H2,1-2H3,(H2,18,19,20)(H4,12,13,15,16)