2-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C27H21BrN4 MolecularWeight: 481.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C27H21BrN4/c28-22-10-12-23(13-11-22)32-17-24(20-7-2-1-3-8-20)25-26(29-18-30-27(25)32)31-15-14-19-6-4-5-9-21(19)16-31/h1-13,17-18H,14-16H2