[1-[2-(6-aminopurin-9-yl)ethoxy]-1-pyridin-4-yl-butyl]phosphonic acid

Systemtic Name: [1-[2-(6-aminopurin-9-yl)ethoxy]-1-pyridin-4-yl-butyl]phosphonic acid Openeye Name: [1-[2-(6-aminopurin-9-yl)ethoxy]-1-(4-pyridyl)butyl]phosphonic acid CAS Name: [1-[2-(6-aminopurin-9-yl)ethoxy]-1-pyridin-4-ylbutyl]phosphonic acid IUPAC Name: [1-[2-(6-aminopurin-9-yl)ethoxy]-1-pyridin-4-ylbutyl]phosphonic acid Traditional Name: [1-(2-adenin-9-ylethoxy)-1-(4-pyridyl)butyl]phosphonic acid Formula: C16H21N6O4P MolecularWeight: 392.349501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=NC=C1)(OCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

Isomeric SMILES

CCCC(C1=CC=NC=C1)(OCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

InChI

InChI=1S/C16H21N6O4P/c1-2-5-16(27(23,24)25,12-3-6-18-7-4-12)26-9-8-22-11-21-13-14(17)19-10-20-15(13)22/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H2,17,19,20)(H2,23,24,25)