2-azanyl-3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-5-(quinazolin-2-ylmethyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-5-(quinazolin-2-ylmethyl)pyridine-3-carbonitrile Openeye Name: 2-amino-3-(2-chlorophenyl)-6-fluoro-4-oxo-5-(quinazolin-2-ylmethyl)pyridine-3-carbonitrile CAS Name: 2-amino-3-(2-chlorophenyl)-6-fluoro-4-oxo-5-(2-quinazolinylmethyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-3-(2-chlorophenyl)-6-fluoro-4-oxo-5-(quinazolin-2-ylmethyl)pyridine-3-carbonitrile Traditional Name: 2-amino-3-(2-chlorophenyl)-6-fluoro-4-keto-5-(quinazolin-2-ylmethyl)nicotinonitrile Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=N2)CC3=C(N=C(C(C3=O)(C#N)C4=CC=CC=C4Cl)N)F

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=N2)CC3=C(N=C(C(C3=O)(C#N)C4=CC=CC=C4Cl)N)F

InChI

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