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

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-[2-(1-imidazolyl)ethyl]-2-imidazolone IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)-4-imidazolin-2-one Formula: C24H19N7O MolecularWeight: 421.45396

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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)CCN5C=CN=C5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CCN5C=CN=C5

InChI

InChI=1S/C24H19N7O/c1-2-18-4-3-5-19(14-18)28-23-21-15-20(6-7-22(21)26-16-27-23)31-13-12-30(24(31)32)11-10-29-9-8-25-17-29/h1,3-9,12-17H,10-11H2,(H,26,27,28)