3-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]propanoic acid Openeye Name: 3-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxo-imidazol-1-yl]propanoic acid CAS Name: 3-[3-[4-(3-ethynylanilino)-6-quinazolinyl]-2-oxo-1-imidazolyl]propanoic acid IUPAC Name: 3-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]propanoic acid Traditional Name: 3-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-keto-4-imidazolin-1-yl]propionic acid Formula: C22H17N5O3 MolecularWeight: 399.40208

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c1-2-15-4-3-5-16(12-15)25-21-18-13-17(6-7-19(18)23-14-24-21)27-11-10-26(22(27)30)9-8-20(28)29/h1,3-7,10-14H,8-9H2,(H,28,29)(H,23,24,25)