[1-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxy]-2-methyl-propyl]phosphonic acid

Systemtic Name: [1-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxy]-2-methyl-propyl]phosphonic acid Openeye Name: [1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]-2-methyl-propyl]phosphonic acid CAS Name: [1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]-2-methylpropyl]phosphonic acid IUPAC Name: [1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]-2-methylpropyl]phosphonic acid Traditional Name: [1-[2-(2-amino-6-keto-3H-purin-9-yl)ethoxy]-2-methyl-propyl]phosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OCCN1C=NC2=C1NC(=NC2=O)N)P(=O)(O)O

Isomeric SMILES

CC(C)C(OCCN1C=NC2=C1NC(=NC2=O)N)P(=O)(O)O

InChI

InChI=1S/C11H18N5O5P/c1-6(2)10(22(18,19)20)21-4-3-16-5-13-7-8(16)14-11(12)15-9(7)17/h5-6,10H,3-4H2,1-2H3,(H2,18,19,20)(H3,12,14,15,17)