2-[[3-(bromomethyl)phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[[3-(bromomethyl)phenyl]amino]-3,7-dihydropurin-6-one Openeye Name: 2-[3-(bromomethyl)anilino]-3,7-dihydropurin-6-one CAS Name: 2-[3-(bromomethyl)anilino]-3,7-dihydropurin-6-one IUPAC Name: 2-[3-(bromomethyl)anilino]-3,7-dihydropurin-6-one Traditional Name: 2-[3-(bromomethyl)anilino]-3,7-dihydropurin-6-one Formula: C12H10BrN5O MolecularWeight: 320.1447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)CBr

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)CBr

InChI

InChI=1S/C12H10BrN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)