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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]imidazol-2-one Openeye Name: 1-(2-dimethylaminoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]imidazol-2-one CAS Name: 1-(2-dimethylaminoethyl)-3-[4-(3-ethynylanilino)-6-quinazolinyl]-2-imidazolone IUPAC Name: 1-(2-dimethylaminoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]imidazol-2-one Traditional Name: 1-(2-dimethylaminoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]-4-imidazolin-2-one Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O/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)3/h1,5-9,12-16H,10-11H2,2-3H3,(H,24,25,26)