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

Systemtic Name: N4-(3-bromophenyl)-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[2-(2-pyridinyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C19H17BrN6 MolecularWeight: 409.28248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

C1=CC=NC(=C1)CCC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C19H17BrN6/c20-12-4-3-6-14(10-12)23-17-16-11-15(24-18(16)26-19(21)25-17)8-7-13-5-1-2-9-22-13/h1-6,9-11H,7-8H2,(H4,21,23,24,25,26)