1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(2-methylsulfanylethyl)imidazol-2-one

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(2-methylsulfanylethyl)imidazol-2-one Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methylsulfanylethyl)imidazol-2-one CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-[2-(methylthio)ethyl]-2-imidazolone IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methylsulfanylethyl)imidazol-2-one Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[2-(methylthio)ethyl]-4-imidazolin-2-one Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C=CN(C1=O)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CSCCN1C=CN(C1=O)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C22H19N5OS/c1-3-16-5-4-6-17(13-16)25-21-19-14-18(7-8-20(19)23-15-24-21)27-10-9-26(22(27)28)11-12-29-2/h1,4-10,13-15H,11-12H2,2H3,(H,23,24,25)