N-[(3-bromophenyl)methyl]-2-[(5-carbamimidoylpyrimidin-2-yl)carbamoylamino]ethanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-2-[(5-carbamimidoylpyrimidin-2-yl)carbamoylamino]ethanamide Openeye Name: N-[(3-bromophenyl)methyl]-2-[(5-carbamimidoylpyrimidin-2-yl)carbamoylamino]acetamide CAS Name: N-[(3-bromophenyl)methyl]-2-[[[(5-carbamimidoyl-2-pyrimidinyl)amino]-oxomethyl]amino]acetamide IUPAC Name: N-[(3-bromophenyl)methyl]-2-[(5-carbamimidoylpyrimidin-2-yl)carbamoylamino]acetamide Traditional Name: 2-[(5-amidinopyrimidin-2-yl)carbamoylamino]-N-(3-bromobenzyl)acetamide Formula: C15H16BrN7O2 MolecularWeight: 406.23724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)CNC(=O)NC2=NC=C(C=N2)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)CNC(=O)NC2=NC=C(C=N2)C(=N)N

InChI

InChI=1S/C15H16BrN7O2/c16-11-3-1-2-9(4-11)5-19-12(24)8-22-15(25)23-14-20-6-10(7-21-14)13(17)18/h1-4,6-7H,5,8H2,(H3,17,18)(H,19,24)(H2,20,21,22,23,25)