N4-(3-bromophenyl)-6-[(4-phenylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-bromophenyl)-6-[(4-phenylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[(4-phenylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[(4-phenylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-[(4-phenylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-phenylbenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C25H20BrN5 MolecularWeight: 470.3638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

InChI

InChI=1S/C25H20BrN5/c26-19-7-4-8-20(14-19)28-23-22-15-21(29-24(22)31-25(27)30-23)13-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H4,27,28,29,30,31)