2-[6-azanyl-8-(butylamino)-2-iodanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-8-(butylamino)-2-iodanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(butylamino)-2-iodo-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-(butylamino)-2-iodo-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(butylamino)-2-iodopurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(butylamino)-2-iodo-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C14H21IN6O4 MolecularWeight: 464.25881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)I

Isomeric SMILES

CCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)I

InChI

InChI=1S/C14H21IN6O4/c1-2-3-4-17-14-18-7-10(16)19-13(15)20-11(7)21(14)12-9(24)8(23)6(5-22)25-12/h6,8-9,12,22-24H,2-5H2,1H3,(H,17,18)(H2,16,19,20)