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

Systemtic Name: cyclobutyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: cyclobutyl 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 cyclobutyl ester IUPAC Name: cyclobutyl 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 cyclobutyl ester Formula: C24H32N7O5P MolecularWeight: 529.528541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCC1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NCC=C)N)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC1CCC1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NCC=C)N)OC4=CC=CC=C4

InChI

InChI=1S/C24H32N7O5P/c1-3-12-26-21-20-22(29-24(25)28-21)31(15-27-20)13-14-34-16-37(33,36-19-8-5-4-6-9-19)30-17(2)23(32)35-18-10-7-11-18/h3-6,8-9,15,17-18H,1,7,10-14,16H2,2H3,(H,30,33)(H3,25,26,28,29)