N-[2-[bis(azanyl)methylideneamino]ethyl]-4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[bis(azanyl)methylideneamino]ethyl]-4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(2-bromoprop-2-enoylamino)-N-(2-guanidinoethyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[(2-bromo-1-oxoprop-2-enyl)amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(2-bromoprop-2-enoylamino)-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[(2-bromoacryloyl)amino]-N-(2-guanidinoethyl)-1-methyl-pyrrole-2-carboxamide Formula: C12H17BrN6O2 MolecularWeight: 357.20638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C(=C)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C(=C)Br

InChI

InChI=1S/C12H17BrN6O2/c1-7(13)10(20)18-8-5-9(19(2)6-8)11(21)16-3-4-17-12(14)15/h5-6H,1,3-4H2,2H3,(H,16,21)(H,18,20)(H4,14,15,17)