3-(1-benzothiophen-2-yl)-6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one

Systemtic Name: 3-(1-benzothiophen-2-yl)-6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Openeye Name: 3-(benzothiophen-2-yl)-6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one CAS Name: 3-(1-benzothiophen-2-yl)-6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethyl-4-pyrimidinone IUPAC Name: 3-(1-benzothiophen-2-yl)-6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethylpyrimidin-4-one Traditional Name: 3-(benzothiophen-2-yl)-6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Formula: C27H21FN2O2S MolecularWeight: 456.531243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C2=CC3=CC=CC=C3S2)CCC4=CC=CC=C4)C5=C(C(=CC=C5)F)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1C2=CC3=CC=CC=C3S2)CCC4=CC=CC=C4)C5=C(C(=CC=C5)F)O

InChI

InChI=1S/C27H21FN2O2S/c1-17-29-25(20-11-7-12-22(28)26(20)31)21(15-14-18-8-3-2-4-9-18)27(32)30(17)24-16-19-10-5-6-13-23(19)33-24/h2-13,16,31H,14-15H2,1H3