2-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methyl-benzimidazole-4,7-dione

Systemtic Name: 2-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methyl-benzimidazole-4,7-dione Openeye Name: 2-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methyl-benzimidazole-4,7-dione CAS Name: 2-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methylbenzimidazole-4,7-dione IUPAC Name: 2-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methylbenzimidazole-4,7-dione Traditional Name: 2-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-1-methyl-benzimidazole-4,7-quinone Formula: C13H17Br2N4O4P MolecularWeight: 484.080241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)C=CC2=O)COP(=O)(N)N(CCBr)CCBr

Isomeric SMILES

CN1C(=NC2=C1C(=O)C=CC2=O)COP(=O)(N)N(CCBr)CCBr

InChI

InChI=1S/C13H17Br2N4O4P/c1-18-11(17-12-9(20)2-3-10(21)13(12)18)8-23-24(16,22)19(6-4-14)7-5-15/h2-3H,4-8H2,1H3,(H2,16,22)