2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-(6-methylheptoxy)phosphinic acid Formula: C16H28N5O5P MolecularWeight: 401.397781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOP(=O)(COCCN1C=NC2=C1NC(=NC2=O)N)O

Isomeric SMILES

CC(C)CCCCCOP(=O)(COCCN1C=NC2=C1NC(=NC2=O)N)O

InChI

InChI=1S/C16H28N5O5P/c1-12(2)6-4-3-5-8-26-27(23,24)11-25-9-7-21-10-18-13-14(21)19-16(17)20-15(13)22/h10,12H,3-9,11H2,1-2H3,(H,23,24)(H3,17,19,20,22)