2-[2-(3-chloranyl-4-fluoranyl-phenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one

Systemtic Name: 2-[2-(3-chloranyl-4-fluoranyl-phenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one Openeye Name: 2-[2-(3-chloro-4-fluoro-phenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one CAS Name: 2-[2-(3-chloro-4-fluorophenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one IUPAC Name: 2-[2-(3-chloro-4-fluorophenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one Traditional Name: 2-[2-(3-chloro-4-fluoro-phenyl)ethoxymethyl]-6-ethyl-1H-pteridin-4-one Formula: C17H16ClFN4O2 MolecularWeight: 362.785943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C2C(=N1)C(=O)N=C(N2)COCCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC1=CN=C2C(=N1)C(=O)N=C(N2)COCCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN4O2/c1-2-11-8-20-16-15(21-11)17(24)23-14(22-16)9-25-6-5-10-3-4-13(19)12(18)7-10/h3-4,7-8H,2,5-6,9H2,1H3,(H,20,22,23,24)