methyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]ethanoate

Systemtic Name: methyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]ethanoate Openeye Name: methyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]acetate CAS Name: 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]acetate Traditional Name: 2-[[2-adenin-9-ylethoxymethyl(phenoxy)phosphoryl]amino]acetic acid methyl ester Formula: C17H21N6O5P MolecularWeight: 420.359601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

InChI

InChI=1S/C17H21N6O5P/c1-26-14(24)9-22-29(25,28-13-5-3-2-4-6-13)12-27-8-7-23-11-21-15-16(18)19-10-20-17(15)23/h2-6,10-11H,7-9,12H2,1H3,(H,22,25)(H2,18,19,20)