3-[2-(2-azanyl-8-bromanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(2-azanyl-8-bromanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-amino-8-bromo-6-oxo-7,8-dihydro-3H-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(2-amino-8-bromo-6-keto-7,8-dihydro-3H-purin-9-yl)ethoxy]-1-ethyl-propyl]phosphonic acid Formula: C12H21BrN5O5P MolecularWeight: 426.203401

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OCCN1C(NC2=C1NC(=NC2=O)N)Br)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OCCN1C(NC2=C1NC(=NC2=O)N)Br)P(=O)(O)O

InChI

InChI=1S/C12H21BrN5O5P/c1-3-12(4-2,24(20,21)22)23-6-5-18-8-7(15-10(18)13)9(19)17-11(14)16-8/h10,15H,3-6H2,1-2H3,(H2,20,21,22)(H3,14,16,17,19)