4-(2-bromanylethanoylamino)-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide

Systemtic Name: 4-(2-bromanylethanoylamino)-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Openeye Name: 4-[(2-bromoacetyl)amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide CAS Name: 4-[(2-bromo-1-oxoethyl)amino]-N-[2-[(2-dimethylaminoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]-1-methyl-2-imidazolecarboxamide IUPAC Name: 4-[(2-bromoacetyl)amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide Traditional Name: 4-[(2-bromoacetyl)amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Formula: C16H23BrN8O3 MolecularWeight: 455.30962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)CBr

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)CBr

InChI

InChI=1S/C16H23BrN8O3/c1-23(2)6-5-18-15(27)13-21-11(9-24(13)3)22-16(28)14-20-10(8-25(14)4)19-12(26)7-17/h8-9H,5-7H2,1-4H3,(H,18,27)(H,19,26)(H,22,28)