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

Systemtic Name: propyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C23H32N7O5P MolecularWeight: 517.517841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N7O5P/c1-4-11-25-20-19-21(28-23(24)27-20)30(15-26-19)12-14-33-16-36(32,35-18-9-7-6-8-10-18)29-17(3)22(31)34-13-5-2/h4,6-10,15,17H,1,5,11-14,16H2,2-3H3,(H,29,32)(H3,24,25,27,28)