2-[[3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methylamino]pyridine-3-carbonitrile

Systemtic Name: 2-[[3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methylamino]pyridine-3-carbonitrile Openeye Name: 2-[[3-(2-chlorophenyl)-6-fluoro-4-oxo-quinazolin-2-yl]methylamino]pyridine-3-carbonitrile CAS Name: 2-[[3-(2-chlorophenyl)-6-fluoro-4-oxo-2-quinazolinyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 2-[[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]methylamino]pyridine-3-carbonitrile Traditional Name: 2-[[3-(2-chlorophenyl)-6-fluoro-4-keto-quinazolin-2-yl]methylamino]nicotinonitrile Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=C(C=CC=N4)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=C(C=CC=N4)C#N)Cl

InChI

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