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

Systemtic Name: 2-[6-azanyl-2-iodanyl-8-[(phenylmethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(benzylamino)-2-iodo-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-iodo-8-[(phenylmethyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(benzylamino)-2-iodopurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(benzylamino)-2-iodo-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H19IN6O4 MolecularWeight: 498.27503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=C(N=C3N)I

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=C(N=C3N)I

InChI

InChI=1S/C17H19IN6O4/c18-16-22-13(19)10-14(23-16)24(15-12(27)11(26)9(7-25)28-15)17(21-10)20-6-8-4-2-1-3-5-8/h1-5,9,11-12,15,25-27H,6-7H2,(H,20,21)(H2,19,22,23)