N4-(3-bromophenyl)-6-(2-naphthalen-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-bromophenyl)-6-(2-naphthalen-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[2-(1-naphthyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[2-(1-naphthalenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-(2-naphthalen-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[2-(1-naphthyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C24H20BrN5 MolecularWeight: 458.3531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

InChI

InChI=1S/C24H20BrN5/c25-17-8-4-9-18(13-17)27-22-21-14-19(28-23(21)30-24(26)29-22)12-11-16-7-3-6-15-5-1-2-10-20(15)16/h1-10,13-14H,11-12H2,(H4,26,27,28,29,30)