2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-hydroxy-butyric acid Formula: C12H19N6O7P MolecularWeight: 390.289021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N)O

InChI

InChI=1S/C12H19N6O7P/c1-6(19)7(11(20)21)15-9-8-10(17-12(13)16-9)18(4-14-8)2-3-25-5-26(22,23)24/h4,6-7,19H,2-3,5H2,1H3,(H,20,21)(H2,22,23,24)(H3,13,15,16,17)