6-[2-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C25H26FN5O3S MolecularWeight: 495.569043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)CCCCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)CCCCCC(=O)N

InChI

InChI=1S/C25H26FN5O3S/c26-18-10-12-19(13-11-18)30(16-6-14-27)23(33)17-35-25-29-21-8-4-3-7-20(21)24(34)31(25)15-5-1-2-9-22(28)32/h3-4,7-8,10-13H,1-2,5-6,9,15-17H2,(H2,28,32)