3-[4-[(3-ethynylphenyl)amino]-7-fluoranyl-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]-7-fluoranyl-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Openeye Name: 3-[4-(3-ethynylanilino)-7-fluoro-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea CAS Name: 3-[4-(3-ethynylanilino)-7-fluoro-6-quinazolinyl]-1,1-bis(2-methoxyethyl)urea IUPAC Name: 3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Traditional Name: 3-[4-(3-ethynylanilino)-7-fluoro-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Formula: C23H24FN5O3 MolecularWeight: 437.466763

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)F

Isomeric SMILES

COCCN(CCOC)C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)F

InChI

InChI=1S/C23H24FN5O3/c1-4-16-6-5-7-17(12-16)27-22-18-13-21(19(24)14-20(18)25-15-26-22)28-23(30)29(8-10-31-2)9-11-32-3/h1,5-7,12-15H,8-11H2,2-3H3,(H,28,30)(H,25,26,27)