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

Systemtic Name: butyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H34N7O5P MolecularWeight: 531.544421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N7O5P/c1-4-6-14-35-23(32)18(3)30-37(33,36-19-10-8-7-9-11-19)17-34-15-13-31-16-27-20-21(26-12-5-2)28-24(25)29-22(20)31/h5,7-11,16,18H,2,4,6,12-15,17H2,1,3H3,(H,30,33)(H3,25,26,28,29)