1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 1-phenacyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C27H18F3N3O2 MolecularWeight: 473.44593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N2C4=CC=CC(=C4)C(F)(F)F)N(C=NC3=O)CC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N2C4=CC=CC(=C4)C(F)(F)F)N(C=NC3=O)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H18F3N3O2/c28-27(29,30)20-12-7-13-21(14-20)33-23(18-8-3-1-4-9-18)15-22-25(35)31-17-32(26(22)33)16-24(34)19-10-5-2-6-11-19/h1-15,17H,16H2