N-[(E)-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[3-(4-bromo-2-fluoro-anilino)-1-methyl-3-oxo-propylidene]amino]pyrazine-2-carboxamide CAS Name: N-[(E)-[4-(4-bromo-2-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[4-(4-bromo-2-fluoroanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[3-(4-bromo-2-fluoro-anilino)-3-keto-1-methyl-propylidene]amino]pyrazinamide Formula: C15H13BrFN5O2 MolecularWeight: 394.198423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C/C(=N\NC(=O)C1=NC=CN=C1)/CC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H13BrFN5O2/c1-9(21-22-15(24)13-8-18-4-5-19-13)6-14(23)20-12-3-2-10(16)7-11(12)17/h2-5,7-8H,6H2,1H3,(H,20,23)(H,22,24)/b21-9+