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

Systemtic Name: N4-(3-bromophenyl)-6-(naphthalen-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-(1-naphthylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-(1-naphthalenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-(naphthalen-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(1-naphthylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C23H18BrN5 MolecularWeight: 444.32652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=CC4=C(N3)N=C(N=C4NC5=CC(=CC=C5)Br)N

InChI

InChI=1S/C23H18BrN5/c24-16-8-4-9-17(12-16)26-21-20-13-18(27-22(20)29-23(25)28-21)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-10,12-13H,11H2,(H4,25,26,27,28,29)