2-[(3-iodanylphenyl)methylamino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(3-iodanylphenyl)methylamino]-3,7-dihydropurin-6-one Openeye Name: 2-[(3-iodophenyl)methylamino]-3,7-dihydropurin-6-one CAS Name: 2-[(3-iodophenyl)methylamino]-3,7-dihydropurin-6-one IUPAC Name: 2-[(3-iodophenyl)methylamino]-3,7-dihydropurin-6-one Traditional Name: 2-[(3-iodobenzyl)amino]-3,7-dihydropurin-6-one Formula: C12H10IN5O MolecularWeight: 367.14517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C12H10IN5O/c13-8-3-1-2-7(4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)