2-[[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methylamino]benzenecarbonitrile Openeye Name: 2-[[3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-quinazolin-2-yl]methylamino]benzonitrile CAS Name: 2-[[3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-2-quinazolinyl]methylamino]benzonitrile IUPAC Name: 2-[[3-(2-chloropyridin-3-yl)-6-fluoro-4-oxoquinazolin-2-yl]methylamino]benzonitrile Traditional Name: 2-[[3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-quinazolin-2-yl]methylamino]benzonitrile Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NCC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NCC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H13ClFN5O/c22-20-18(6-3-9-25-20)28-19(12-26-16-5-2-1-4-13(16)11-24)27-17-8-7-14(23)10-15(17)21(28)29/h1-10,26H,12H2