N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-methylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-methylsulfonyl-piperazine-1-carboxamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methylsulfonyl-piperazine-1-carboxamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-4-methylsulfonyl-1-piperazinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methylsulfonylpiperazine-1-carboxamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-mesyl-piperazine-1-carboxamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C22H22N6O3S/c1-3-16-5-4-6-17(13-16)25-21-19-14-18(7-8-20(19)23-15-24-21)26-22(29)27-9-11-28(12-10-27)32(2,30)31/h1,4-8,13-15H,9-12H2,2H3,(H,26,29)(H,23,24,25)