9-[3-[[4-(2-bromophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]methoxy]propyl]purin-6-amine

Systemtic Name: 9-[3-[[4-(2-bromophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]methoxy]propyl]purin-6-amine Openeye Name: 9-[3-[[4-(2-bromophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]methoxy]propyl]purin-6-amine CAS Name: 9-[3-[[4-(2-bromophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]methoxy]propyl]-6-purinamine IUPAC Name: 9-[3-[[4-(2-bromophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]methoxy]propyl]purin-6-amine Traditional Name: [9-[3-[[4-(2-bromophenyl)-2-keto-1,3,2$l^{5}-dioxaphosphorinan-2-yl]methoxy]propyl]purin-6-yl]amine Formula: C18H21BrN5O4P MolecularWeight: 482.268201

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Descriptors Computed from Structure

Canonical SMILES:

C1COP(=O)(OC1C2=CC=CC=C2Br)COCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1COP(=O)(OC1C2=CC=CC=C2Br)COCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H21BrN5O4P/c19-14-5-2-1-4-13(14)15-6-9-27-29(25,28-15)12-26-8-3-7-24-11-23-16-17(20)21-10-22-18(16)24/h1-2,4-5,10-11,15H,3,6-9,12H2,(H2,20,21,22)