3-cyclohexyl-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[5-(hydroxymethyl)pyridin-2-yl]propanamide

Systemtic Name: 3-cyclohexyl-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[5-(hydroxymethyl)pyridin-2-yl]propanamide Openeye Name: 3-cyclohexyl-2-(6-fluoro-4-oxo-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridyl]propanamide CAS Name: 3-cyclohexyl-2-(6-fluoro-4-oxo-3-quinazolinyl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide IUPAC Name: 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(hydroxymethyl)pyridin-2-yl]propanamide Traditional Name: 3-cyclohexyl-2-(6-fluoro-4-keto-quinazolin-3-yl)-N-(5-methylol-2-pyridyl)propionamide Formula: C23H25FN4O3 MolecularWeight: 424.468003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=C(C=C2)CO)N3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2=NC=C(C=C2)CO)N3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3/c24-17-7-8-19-18(11-17)23(31)28(14-26-19)20(10-15-4-2-1-3-5-15)22(30)27-21-9-6-16(13-29)12-25-21/h6-9,11-12,14-15,20,29H,1-5,10,13H2,(H,25,27,30)