2-[(4-carbamimidoyl-3-fluoranyl-phenyl)carbamoylamino]-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]ethanamide

Systemtic Name: 2-[(4-carbamimidoyl-3-fluoranyl-phenyl)carbamoylamino]-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]ethanamide Openeye Name: 2-[(4-carbamimidoyl-3-fluoro-phenyl)carbamoylamino]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide CAS Name: 2-[[(4-carbamimidoyl-3-fluoroanilino)-oxomethyl]amino]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide IUPAC Name: 2-[(4-carbamimidoyl-3-fluorophenyl)carbamoylamino]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide Traditional Name: 2-[(4-amidino-3-fluoro-phenyl)carbamoylamino]-N-[1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]acetamide Formula: C20H21FN6O4 MolecularWeight: 428.416943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)CNC(=O)NC3=CC(=C(C=C3)C(=N)N)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)CNC(=O)NC3=CC(=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H21FN6O4/c1-10(11-2-5-16-15(6-11)27-18(29)9-31-16)25-17(28)8-24-20(30)26-12-3-4-13(19(22)23)14(21)7-12/h2-7,10H,8-9H2,1H3,(H3,22,23)(H,25,28)(H,27,29)(H2,24,26,30)