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

Systemtic Name: 7-(4-bromophenyl)-N-(2,2-dimethoxyethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-bromophenyl)-N-(2,2-dimethoxyethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-bromophenyl)-N-(2,2-dimethoxyethyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-bromophenyl)-N-(2,2-dimethoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(2,2-dimethoxyethyl)amine Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC(CNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H21BrN4O2/c1-28-19(29-2)12-24-21-20-18(15-6-4-3-5-7-15)13-27(22(20)26-14-25-21)17-10-8-16(23)9-11-17/h3-11,13-14,19H,12H2,1-2H3,(H,24,25,26)