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

Systemtic Name: butyl 2-[[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]butanoate Openeye Name: butyl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]butanoate CAS Name: 2-[[2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]butanoic acid butyl ester IUPAC Name: butyl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]butanoate Traditional Name: 2-[[2-[2-amino-6-(cyclopropylamino)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=C2NC3CC3)N)OC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C(CC)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)OC4=CC=CC=C4

InChI

InChI=1S/C25H36N7O5P/c1-3-5-14-36-24(33)20(4-2)31-38(34,37-19-9-7-6-8-10-19)17-35-15-13-32-16-27-21-22(28-18-11-12-18)29-25(26)30-23(21)32/h6-10,16,18,20H,3-5,11-15,17H2,1-2H3,(H,31,34)(H3,26,28,29,30)