2-[2-azanyl-6-[(3-azanyl-2-oxidanyl-propyl)amino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[(3-azanyl-2-oxidanyl-propyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[(3-amino-2-hydroxy-propyl)amino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(3-amino-2-hydroxypropyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[(3-amino-2-hydroxypropyl)amino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(3-amino-2-hydroxy-propyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C11H20N7O5P MolecularWeight: 361.294161

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCC(CN)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCC(CN)O)N

InChI

InChI=1S/C11H20N7O5P/c12-3-7(19)4-14-9-8-10(17-11(13)16-9)18(5-15-8)1-2-23-6-24(20,21)22/h5,7,19H,1-4,6,12H2,(H2,20,21,22)(H3,13,14,16,17)