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

Systemtic Name: hexyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C26H38N7O5P MolecularWeight: 559.597581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N7O5P/c1-4-6-7-11-16-37-25(34)20(3)32-39(35,38-21-12-9-8-10-13-21)19-36-17-15-33-18-29-22-23(28-14-5-2)30-26(27)31-24(22)33/h5,8-10,12-13,18,20H,2,4,6-7,11,14-17,19H2,1,3H3,(H,32,35)(H3,27,28,30,31)