[5-[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]-1-methyl-imidazol-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]-1-methyl-imidazol-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]-1-methyl-imidazol-2-yl]phosphonic acid CAS Name: [5-[6-amino-9-(2,2-dimethylpropyl)-8-purinyl]-1-methyl-2-imidazolyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]-1-methylimidazol-2-yl]phosphonic acid Traditional Name: [5-(6-amino-9-neopentyl-purin-8-yl)-1-methyl-imidazol-2-yl]phosphonic acid Formula: C14H20N7O3P MolecularWeight: 365.327461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=NC=N2)N)N=C1C3=CN=C(N3C)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=NC=N2)N)N=C1C3=CN=C(N3C)P(=O)(O)O

InChI

InChI=1S/C14H20N7O3P/c1-14(2,3)6-21-11(19-9-10(15)17-7-18-12(9)21)8-5-16-13(20(8)4)25(22,23)24/h5,7H,6H2,1-4H3,(H2,15,17,18)(H2,22,23,24)