2-[[2-(aminocarbonylamino)-3-azanyl-3-azanylidene-propanoyl]amino]-2-phenyl-ethanoyl chloride

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-azanyl-3-azanylidene-propanoyl]amino]-2-phenyl-ethanoyl chloride Openeye Name: 2-[(3-amino-3-imino-2-ureido-propanoyl)amino]-2-phenyl-acetyl chloride CAS Name: 2-[[3-amino-2-(carbamoylamino)-3-imino-1-oxopropyl]amino]-2-phenylacetyl chloride IUPAC Name: 2-[[3-amino-2-(carbamoylamino)-3-iminopropanoyl]amino]-2-phenylacetyl chloride Traditional Name: 2-[(3-amino-3-imino-2-ureido-propanoyl)amino]-2-phenyl-acetyl chloride Formula: C12H14ClN5O3 MolecularWeight: 311.72426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)Cl)NC(=O)C(C(=N)N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)Cl)NC(=O)C(C(=N)N)NC(=O)N

InChI

InChI=1S/C12H14ClN5O3/c13-9(19)7(6-4-2-1-3-5-6)17-11(20)8(10(14)15)18-12(16)21/h1-5,7-8H,(H3,14,15)(H,17,20)(H3,16,18,21)