actinium; 6-chloranyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-2-carbonitrile

Systemtic Name: actinium; 6-chloranyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-2-carbonitrile Openeye Name: actinium; 6-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-2-carbonitrile CAS Name: actinium; 6-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinecarbonitrile IUPAC Name: actinium; 6-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonitrile Traditional Name: actinium; 6-chloro-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purine-2-carbonitrile Formula: C11H10Ac3ClN5O4 MolecularWeight: 992.764441

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2Cl)C#N.[Ac].[Ac].[Ac]

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2Cl)C#N.[Ac].[Ac].[Ac]

InChI

InChI=1S/C11H10ClN5O4.3Ac/c12-9-6-10(16-5(1-13)15-9)17(3-14-6)11-8(20)7(19)4(2-18)21-11;;;/h3-4,7-8,11,18-20H,2H2;;;