3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methyl-urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methyl-urea Openeye Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-1-[(3-fluorophenyl)methyl]-1-methylurea IUPAC Name: 3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea Traditional Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1-(3-fluorobenzyl)-1-methyl-urea Formula: C26H22FN5O2 MolecularWeight: 455.483583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C26H22FN5O2/c1-4-17-7-6-10-20(12-17)30-25-21-13-23(24(34-3)14-22(21)28-16-29-25)31-26(33)32(2)15-18-8-5-9-19(27)11-18/h1,5-14,16H,15H2,2-3H3,(H,31,33)(H,28,29,30)