[5-[2,6-bis(azanyl)purin-9-yl]-1-methoxy-4-methyl-pentyl]phosphonic acid

Systemtic Name: [5-[2,6-bis(azanyl)purin-9-yl]-1-methoxy-4-methyl-pentyl]phosphonic acid Openeye Name: [5-(2,6-diaminopurin-9-yl)-1-methoxy-4-methyl-pentyl]phosphonic acid CAS Name: [5-(2,6-diamino-9-purinyl)-1-methoxy-4-methylpentyl]phosphonic acid IUPAC Name: [5-(2,6-diaminopurin-9-yl)-1-methoxy-4-methylpentyl]phosphonic acid Traditional Name: [5-(2,6-diaminopurin-9-yl)-1-methoxy-4-methyl-pentyl]phosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(OC)P(=O)(O)O)CN1C=NC2=C1N=C(N=C2N)N

Isomeric SMILES

CC(CCC(OC)P(=O)(O)O)CN1C=NC2=C1N=C(N=C2N)N

InChI

InChI=1S/C12H21N6O4P/c1-7(3-4-8(22-2)23(19,20)21)5-18-6-15-9-10(13)16-12(14)17-11(9)18/h6-8H,3-5H2,1-2H3,(H2,19,20,21)(H4,13,14,16,17)