2-azanyl-3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 2-azanyl-3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 2-amino-3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 2-amino-3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-3-(2-quinazolinylmethyl)-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 2-amino-3-(2-chloropyridin-3-yl)-6-fluoro-4-oxo-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Traditional Name: 2-amino-3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C21H13ClFN5O MolecularWeight: 405.812223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=N2)CC3(C(=O)C=C(C(=C3N)C#N)F)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=N2)CC3(C(=O)C=C(C(=C3N)C#N)F)C4=C(N=CC=C4)Cl

InChI

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