2-azanyl-5-[(4-bromophenyl)methyl]-4-oxidanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 2-azanyl-5-[(4-bromophenyl)methyl]-4-oxidanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 2-amino-5-[(4-bromophenyl)methyl]-4-oxo-1H-pyrimidine-6-carbaldehyde CAS Name: 2-amino-5-[(4-bromophenyl)methyl]-4-oxo-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 2-amino-5-[(4-bromophenyl)methyl]-4-oxo-1H-pyrimidine-6-carbaldehyde Traditional Name: 2-amino-5-(4-bromobenzyl)-4-keto-1H-pyrimidine-6-carbaldehyde Formula: C12H10BrN3O2 MolecularWeight: 308.1307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NC(=NC2=O)N)C=O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NC(=NC2=O)N)C=O)Br

InChI

InChI=1S/C12H10BrN3O2/c13-8-3-1-7(2-4-8)5-9-10(6-17)15-12(14)16-11(9)18/h1-4,6H,5H2,(H3,14,15,16,18)