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

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(thiophen-2-ylmethyl)imidazol-2-one Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-thienylmethyl)imidazol-2-one CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-(thiophen-2-ylmethyl)-2-imidazolone IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(thiophen-2-ylmethyl)imidazol-2-one Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-thenyl)-4-imidazolin-2-one Formula: C24H17N5OS MolecularWeight: 423.48968

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CC=CS5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CC=CS5

InChI

InChI=1S/C24H17N5OS/c1-2-17-5-3-6-18(13-17)27-23-21-14-19(8-9-22(21)25-16-26-23)29-11-10-28(24(29)30)15-20-7-4-12-31-20/h1,3-14,16H,15H2,(H,25,26,27)