4-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanoic acid

Systemtic Name: 4-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanoic acid Openeye Name: 4-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanoic acid CAS Name: 4-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]butanoic acid IUPAC Name: 4-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanoic acid Traditional Name: 4-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butyric acid Formula: C12H19N6O6P MolecularWeight: 374.289621

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCC(=O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCC(=O)O)N

InChI

InChI=1S/C12H19N6O6P/c13-12-16-10(14-3-1-2-8(19)20)9-11(17-12)18(6-15-9)4-5-24-7-25(21,22)23/h6H,1-5,7H2,(H,19,20)(H2,21,22,23)(H3,13,14,16,17)