2-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol

Systemtic Name: 2-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol Openeye Name: 2-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol CAS Name: 2-[[7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]-1-butanol IUPAC Name: 2-[[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol Traditional Name: 2-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol Formula: C22H21BrN4O MolecularWeight: 437.33234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(CO)NC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O/c1-2-17(13-28)26-21-20-19(15-6-4-3-5-7-15)12-27(22(20)25-14-24-21)18-10-8-16(23)9-11-18/h3-12,14,17,28H,2,13H2,1H3,(H,24,25,26)