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

Systemtic Name: 2-azanyl-9-[5-[1,2,3,4-tetrakis(oxidanyl)butyl]-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-(1,2,3,4-tetrahydroxybutyl)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one Formula: C13H16Cl3N5O7 MolecularWeight: 460.65444

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(OC(O3)C(Cl)(Cl)Cl)C(C(C(CO)O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(OC(O3)C(Cl)(Cl)Cl)C(C(C(CO)O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H16Cl3N5O7/c14-13(15,16)11-27-7(6(25)5(24)3(23)1-22)10(28-11)21-2-18-4-8(21)19-12(17)20-9(4)26/h2-3,5-7,10-11,22-25H,1H2,(H3,17,19,20,26)