ethyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: ethyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: ethyl 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[2-[2-amino-6-(prop-2-enylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propionic acid ethyl ester Formula: C22H30N7O5P MolecularWeight: 503.491261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NCC=C)N)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NCC=C)N)OC3=CC=CC=C3

InChI

InChI=1S/C22H30N7O5P/c1-4-11-24-19-18-20(27-22(23)26-19)29(14-25-18)12-13-32-15-35(31,28-16(3)21(30)33-5-2)34-17-9-7-6-8-10-17/h4,6-10,14,16H,1,5,11-13,15H2,2-3H3,(H,28,31)(H3,23,24,26,27)