3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazoline-2-carbaldehyde hydrate

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazoline-2-carbaldehyde hydrate Openeye Name: 3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-quinazoline-2-carbaldehyde hydrate CAS Name: 3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-2-quinazolinecarboxaldehyde hydrate IUPAC Name: 3-(2-chloropyridin-3-yl)-6-fluoro-4-oxoquinazoline-2-carbaldehyde hydrate Traditional Name: 3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-quinazoline-2-carbaldehyde hydrate Formula: C14H9ClFN3O3 MolecularWeight: 321.690963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)N2C(=NC3=C(C2=O)C=C(C=C3)F)C=O.O

Isomeric SMILES

C1=CC(=C(N=C1)Cl)N2C(=NC3=C(C2=O)C=C(C=C3)F)C=O.O

InChI

InChI=1S/C14H7ClFN3O2.H2O/c15-13-11(2-1-5-17-13)19-12(7-20)18-10-4-3-8(16)6-9(10)14(19)21;/h1-7H;1H2