4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine Formula: C31H28F3N5 MolecularWeight: 527.58273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C(=CN4C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C(=CN4C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC=C6)C

InChI

InChI=1S/C31H28F3N5/c1-21-8-6-13-27(22(21)2)37-14-16-38(17-15-37)29-28-26(23-9-4-3-5-10-23)19-39(30(28)36-20-35-29)25-12-7-11-24(18-25)31(32,33)34/h3-13,18-20H,14-17H2,1-2H3