6-(aziridin-1-ylmethyl)-5-(3-bromophenyl)carbonyl-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-(aziridin-1-ylmethyl)-5-(3-bromophenyl)carbonyl-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-(aziridin-1-ylmethyl)-5-(3-bromobenzoyl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-(1-aziridinylmethyl)-5-[(3-bromophenyl)-oxomethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-(aziridin-1-ylmethyl)-5-(3-bromobenzoyl)-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-(3-bromobenzoyl)-6-(ethyleniminomethyl)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H16BrN3O3 MolecularWeight: 378.22054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=CC=C2)Br)CN3CC3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=CC=C2)Br)CN3CC3

InChI

InChI=1S/C16H16BrN3O3/c1-18-12(9-20-6-7-20)13(15(22)19(2)16(18)23)14(21)10-4-3-5-11(17)8-10/h3-5,8H,6-7,9H2,1-2H3