2-[6-(1-pyrrolidin-1-ylethyl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(1-pyrrolidin-1-ylethyl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(1-pyrrolidin-1-ylethyl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-[1-(1-pyrrolidinyl)ethyl]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(1-pyrrolidin-1-ylethyl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(1-pyrrolidinoethyl)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H22N5O4P MolecularWeight: 355.329341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O)N3CCCC3

Isomeric SMILES

CC(C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O)N3CCCC3

InChI

InChI=1S/C14H22N5O4P/c1-11(18-4-2-3-5-18)12-13-14(16-8-15-12)19(9-17-13)6-7-23-10-24(20,21)22/h8-9,11H,2-7,10H2,1H3,(H2,20,21,22)