2-azanyl-8-bromanyl-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[2-(diisopropoxyphosphorylmethoxy)ethyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[2-(diisopropoxyphosphorylmethoxy)ethyl]-3H-purin-6-one Formula: C14H23BrN5O5P MolecularWeight: 452.240681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCCN1C2=C(C(=O)N=C(N2)N)N=C1Br)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COCCN1C2=C(C(=O)N=C(N2)N)N=C1Br)OC(C)C

InChI

InChI=1S/C14H23BrN5O5P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-20-11-10(17-13(20)15)12(21)19-14(16)18-11/h8-9H,5-7H2,1-4H3,(H3,16,18,19,21)