9-[5-[1,2,3,4-tetrakis(oxidanyl)butyl]-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one

Systemtic Name: 9-[5-[1,2,3,4-tetrakis(oxidanyl)butyl]-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Openeye Name: 9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one CAS Name: 9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one IUPAC Name: 9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Traditional Name: 9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Formula: C13H15Cl3N4O7 MolecularWeight: 445.6398

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(OC(O3)C(Cl)(Cl)Cl)C(C(C(CO)O)O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(OC(O3)C(Cl)(Cl)Cl)C(C(C(CO)O)O)O

InChI

InChI=1S/C13H15Cl3N4O7/c14-13(15,16)12-26-8(7(24)6(23)4(22)1-21)11(27-12)20-3-19-5-9(20)17-2-18-10(5)25/h2-4,6-8,11-12,21-24H,1H2,(H,17,18,25)