[2-[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]-3-methyl-imidazol-4-yl]phosphonic acid

Systemtic Name: [2-[6-azanyl-9-(2,2-dimethylpropyl)purin-8-yl]-3-methyl-imidazol-4-yl]phosphonic acid Openeye Name: [2-[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]-3-methyl-imidazol-4-yl]phosphonic acid CAS Name: [2-[6-amino-9-(2,2-dimethylpropyl)-8-purinyl]-3-methyl-4-imidazolyl]phosphonic acid IUPAC Name: [2-[6-amino-9-(2,2-dimethylpropyl)purin-8-yl]-3-methylimidazol-4-yl]phosphonic acid Traditional Name: [2-(6-amino-9-neopentyl-purin-8-yl)-3-methyl-imidazol-4-yl]phosphonic acid Formula: C14H20N7O3P MolecularWeight: 365.327461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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