7-(4-bromophenyl)-N-butyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(4-bromophenyl)-N-butyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-bromophenyl)-N-butyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-bromophenyl)-N-butyl-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-bromophenyl)-N-butyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-butyl-amine Formula: C22H21BrN4 MolecularWeight: 421.33294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4/c1-2-3-13-24-21-20-19(16-7-5-4-6-8-16)14-27(22(20)26-15-25-21)18-11-9-17(23)10-12-18/h4-12,14-15H,2-3,13H2,1H3,(H,24,25,26)