6-(1-azanyl-3-imidazol-1-yl-1-oxidanylidene-propan-2-yl)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazoline-2-carboxamide

Systemtic Name: 6-(1-azanyl-3-imidazol-1-yl-1-oxidanylidene-propan-2-yl)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazoline-2-carboxamide Openeye Name: 6-[2-amino-1-(imidazol-1-ylmethyl)-2-oxo-ethyl]-4-(3-chloro-4-fluoro-anilino)quinazoline-2-carboxamide CAS Name: 6-[1-amino-3-(1-imidazolyl)-1-oxopropan-2-yl]-4-(3-chloro-4-fluoroanilino)-2-quinazolinecarboxamide IUPAC Name: 6-(1-amino-3-imidazol-1-yl-1-oxopropan-2-yl)-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide Traditional Name: 6-[2-amino-1-(imidazol-1-ylmethyl)-2-keto-ethyl]-4-(3-chloro-4-fluoro-anilino)quinazoline-2-carboxamide Formula: C21H17ClFN7O2 MolecularWeight: 453.856783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(CN3C=CN=C3)C(=O)N)C(=NC(=N2)C(=O)N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(CN3C=CN=C3)C(=O)N)C(=NC(=N2)C(=O)N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN7O2/c22-15-8-12(2-3-16(15)23)27-20-13-7-11(1-4-17(13)28-21(29-20)19(25)32)14(18(24)31)9-30-6-5-26-10-30/h1-8,10,14H,9H2,(H2,24,31)(H2,25,32)(H,27,28,29)