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

Systemtic Name: butyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]butanoate Openeye Name: butyl 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]butanoate CAS Name: 2-[[2-[2-amino-6-(prop-2-enylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]butanoic acid butyl ester IUPAC Name: butyl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]butanoate Traditional Name: 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]butyric acid butyl ester Formula: C25H36N7O5P MolecularWeight: 545.571001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N7O5P/c1-4-7-15-36-24(33)20(6-3)31-38(34,37-19-11-9-8-10-12-19)18-35-16-14-32-17-28-21-22(27-13-5-2)29-25(26)30-23(21)32/h5,8-12,17,20H,2,4,6-7,13-16,18H2,1,3H3,(H,31,34)(H3,26,27,29,30)