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

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(pyridin-3-ylmethyl)imidazol-2-one Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-pyridylmethyl)imidazol-2-one CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-(3-pyridinylmethyl)-2-imidazolone IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)imidazol-2-one Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-pyridylmethyl)-4-imidazolin-2-one Formula: C25H18N6O MolecularWeight: 418.45002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C25H18N6O/c1-2-18-5-3-7-20(13-18)29-24-22-14-21(8-9-23(22)27-17-28-24)31-12-11-30(25(31)32)16-19-6-4-10-26-15-19/h1,3-15,17H,16H2,(H,27,28,29)