2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-propyl-2-pyrrolyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[4-(5-fluoro-2-hydroxybenzoyl)-1-propylpyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H16FN3O3S MolecularWeight: 397.422743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

CCCN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C20H16FN3O3S/c1-2-6-24-10-11(17(26)13-9-12(21)3-4-16(13)25)8-15(24)19-22-14-5-7-28-18(14)20(27)23-19/h3-5,7-10,25H,2,6H2,1H3,(H,22,23,27)