N-[2-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]ethyl]-N-methyl-methanesulfonamide

Systemtic Name: N-[2-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]ethyl]-N-methyl-methanesulfonamide Openeye Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxo-imidazol-1-yl]ethyl]-N-methyl-methanesulfonamide CAS Name: N-[2-[3-[4-(3-ethynylanilino)-6-quinazolinyl]-2-oxo-1-imidazolyl]ethyl]-N-methylmethanesulfonamide IUPAC Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide Traditional Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-keto-4-imidazolin-1-yl]ethyl]-N-methyl-methanesulfonamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN(C1=O)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C)S(=O)(=O)C

Isomeric SMILES

CN(CCN1C=CN(C1=O)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C)S(=O)(=O)C

InChI

InChI=1S/C23H22N6O3S/c1-4-17-6-5-7-18(14-17)26-22-20-15-19(8-9-21(20)24-16-25-22)29-13-12-28(23(29)30)11-10-27(2)33(3,31)32/h1,5-9,12-16H,10-11H2,2-3H3,(H,24,25,26)