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

Systemtic Name: 7-(4-bromophenyl)-N-(3-methoxypropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-bromophenyl)-N-(3-methoxypropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-bromophenyl)-N-(3-methoxypropyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-bromophenyl)-N-(3-methoxypropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C22H21BrN4O MolecularWeight: 437.33234

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COCCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O/c1-28-13-5-12-24-21-20-19(16-6-3-2-4-7-16)14-27(22(20)26-15-25-21)18-10-8-17(23)9-11-18/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,24,25,26)