2-[(2-iodanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione

Systemtic Name: 2-[(2-iodanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Openeye Name: 2-[(2-iodophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione CAS Name: 2-[(2-iodophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione IUPAC Name: 2-[(2-iodophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Traditional Name: 2-(2-iodobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thione Formula: C12H9IN4S MolecularWeight: 368.19613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C3C(=NC=NC3=S)N2)I

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C3C(=NC=NC3=S)N2)I

InChI

InChI=1S/C12H9IN4S/c13-10-4-2-1-3-8(10)5-17-6-9-11(16-17)14-7-15-12(9)18/h1-4,6-7H,5H2,(H,14,15,16,18)