[1-[[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]methyl]imidazol-2-yl]phosphonic acid

Systemtic Name: [1-[[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]methyl]imidazol-2-yl]phosphonic acid Openeye Name: [1-[[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]methyl]imidazol-2-yl]phosphonic acid CAS Name: [1-[[6-amino-9-(2,2-dimethylpropyl)-8-purinyl]methyl]-2-imidazolyl]phosphonic acid IUPAC Name: [1-[[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]methyl]imidazol-2-yl]phosphonic acid Traditional Name: [1-[(6-amino-9-neopentyl-purin-8-yl)methyl]imidazol-2-yl]phosphonic acid Formula: C14H20N7O3P MolecularWeight: 365.327461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=NC2=C1N=CN=C2N)CN3C=CN=C3P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C(=NC2=C1N=CN=C2N)CN3C=CN=C3P(=O)(O)O

InChI

InChI=1S/C14H20N7O3P/c1-14(2,3)7-21-9(19-10-11(15)17-8-18-12(10)21)6-20-5-4-16-13(20)25(22,23)24/h4-5,8H,6-7H2,1-3H3,(H2,15,17,18)(H2,22,23,24)