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

Systemtic Name: 2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanedioic acid Openeye Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanedioic acid CAS Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]butanedioic acid IUPAC Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]butanedioic acid Traditional Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]succinic acid Formula: C12H17N6O8P MolecularWeight: 404.272541

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C12H17N6O8P/c13-12-16-9(15-6(11(21)22)3-7(19)20)8-10(17-12)18(4-14-8)1-2-26-5-27(23,24)25/h4,6H,1-3,5H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,13,15,16,17)