N6-[(3-iodanylphenyl)methyl]-7H-purine-2,6-diamine

Systemtic Name: N6-[(3-iodanylphenyl)methyl]-7H-purine-2,6-diamine Openeye Name: N6-[(3-iodophenyl)methyl]-7H-purine-2,6-diamine CAS Name: N6-[(3-iodophenyl)methyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-[(3-iodophenyl)methyl]-7H-purine-2,6-diamine Traditional Name: (2-amino-7H-purin-6-yl)-(3-iodobenzyl)amine Formula: C12H11IN6 MolecularWeight: 366.16041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C12H11IN6/c13-8-3-1-2-7(4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10/h1-4,6H,5H2,(H4,14,15,16,17,18,19)